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Wi-Fi Calling to Take Off
U.K. mobile operator Everything Everywhere has launched a Wi-Fi calling service. This ABI Insight discusses how the calls will work and the benefits of it.
EE Launched Wi-Fi Calling Ahead of Rivals
In early April 2015, the U.K. mobile operator Everything Everywhere (EE) launched Wi-Fi calling services, allowing its mobile subscribers to make calls or send messages through their home or office Wi-Fi networks at no extra charges. The service is primarily targeted at the people who have no mobile connectivity in at least one room in their home. EE only allows users to use the Wi-Fi calling within its domestic area, while some operator such as T-Mobile let users get access to Wi-Fi calling from anywhere in the world. Likewise, this summer, EE also plans to inaugurate its Voice over LTE (VoLTE) services (which make voice calls over the 4G network) but has not confirmed a launch date. At the moment, Vodafone UK has also confirmed that it will be launching Wi-Fi calling and VoLTE services this summer.
What Is Wi-Fi Calling?
Wi-Fi calling is not an application, but instead is integrated into the phone's normal dialer to make calls or send text messages through normal text buttons. Those receiving the calls do not have to install the same apps like VoIP to call or message each other. Wi-Fi calling transfers the cellular packets from the phone over the Internet, and injects back into the cellular network, while VoIP transfers the voice over the Internet to the switched telephone network. The sender of a call needs a smartphone that supports Wi-Fi calling, whereas the receiver can be on mobile or fixed line connection.
Advantages and Issues for Wi-Fi Calling
There are a number of advantages of using Wi-Fi calling:
Wi-Fi Calling versus VoIP-Based Calling Technologies: Wi-Fi calling works almost the same as the mobile network, unlike VoIP where you have to switch on the application to connect to others.
Seamless Handover During a Wi-Fi Call between Wi-Fi and GSM / UMTS Mobile Networks: One of the limitations of Wi-Fi calling so far is that the call will not automatically transfer to the mobile network when the Wi-Fi call starts to go outside of the network range. However, seamless handover between Wi-Fi and other technologies can be achieved when the operator launches the VoLTE services. The VoLTE services will enable voice and message services to work over 4G networks. Then Wi-Fi calling will be able to leverage the VoLTE infrastructure and eliminate the need for special support from cellular modem. The various architectures for different operators should also be considered.
Leverage of Wi-Fi Calling for Mobile Operators: Wi-Fi helps to increase indoor coverage for phone calls and message texts. It also helps to save money for mobile subscribers, as the calls and texts do not count against the plan. In the case of network downtime or poor signal areas, like in rural villages and underground stations, the customers still can make calls. Though EE will launch VoLTE services soon, they still inaugurate Wi-Fi calling services first since it takes time to achieve full country level coverage. In this way, the Wi-Fi calling can compensate for poor indoor or rural coverage while keeping the same quality services for its customers. Therefore, Wi-Fi calling provides a good opportunity for mobile operators to reduce costs, increase coverage, enhance user experience, and reduce congestion.
Attractiveness to Communication Equipment Providers: Wi-Fi calling is not available for any smartphone, as it is not embedded in an application, but rather coded into the operating systems. In order to promote Wi-Fi calling, EE has expanded the profile of smartphones capable of connecting to the enabled Wi-Fi network by introducing two of its own new devices at premium prices.


Celebrate the Holidays with Animal Crossing Rewards – Hey, campers! Are you enjoying Jingle's Toy Day Decor seasonal event that's happening now in the Animal Crossing: Pocket Camp game***? You can collect bell ornaments to exchange for in-game furniture and clothing that's perfect for the season – it's super fun! To help celebrate this event, we're offering My Nintendo members a printable 2019 character birthday calendar, printable holiday cards and a digital wallpaper featuring Animal Crossing characters. Visit https://my.nintendo.com/news for more info.


Some essential effects of Beat Generation artistic movement could be characterized in the following terms: spiritual liberation, sexual "revolution" or "liberation," i.e., gay liberation, somewhat catalyzing women's liberation, black liberation, Gray Panther activism. (From Marcin Wuu) Criticism of the Beat Generation's aesthetics and behavior came from many corners of society. The academic community derided the Beats as anti-intellectual and unrefined. Mainstream America was horrified by their supposed sexual deviancy and illicit drug use.


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Traffic alert: What drivers can expect in Escambia, Santa Rosa counties next week
Drivers will encounter traffic disruptions on the following state roads in Escambia and Santa Rosa counties as crews perform construction and maintenance activities.
U.S. 98 Pensacola Bay Bridge Replacement – Drivers will encounter alternating lane closures and lane shifts on the Pensacola Bay Bridge from 8 p.m. to 5 a.m. Sunday, Jan. 16 through Saturday, Jan. 22. Crews will be using lanes on the current bridge as a platform to pour concrete decks for the westbound (Gulf Breeze to Pensacola) structure.
West Cervantes Street (U.S. 90) Pedestrian Safety Improvement – Drivers will encounter inside lane closures between A and N streets as crews perform median improvements and install poles for pedestrian traffic signals.
U.S. 29 Widening from Interstate 10 (I-10) to Nine Mile Road (U.S. 90) – Drivers will encounter intermittent lane closures and shifts from 8 p.m. to 6 a.m. Sunday, Jan. 16 through Wednesday, Jan. 19 between I-10 and Nine and Half Mile Road, and on Nine Mile Road at the U.S. 29 interchange to allow crews to place striping and perform worklist items.
Sorrento Road (State Road (S.R.) 292) Intersection Improvements at Innerarity Point (County Road 292A) – Motorists can expect intermittent lane closure from 9 p.m. Tuesday, Jan. 18 to 5:30 a.m. Wednesday, Jan. 19. Also expect intermittent daytime shoulder closures Thursday, Jan. 20 and Friday, Jan. 21, as crews place a watermain.
North Ninth Avenue (S.R. 289) Carpenters Creek Bridge Replacement - All travel lanes are temporarily shifted to the northbound side of the bridge as crews replace the southbound portion of the structure. Additionally, drivers may encounter intermittent temporary lane closures from 7 a.m. to 6 p.m. Monday through Thursday as crews mobilize materials and equipment.
Beulah Road (S.R. 99) Routine Maintenance at Kaheeley Ridge Subdivision – Drivers will encounter inside lane closures from 8 p.m. to 5 a.m. Sunday, Jan. 16 and Monday, Jan. 17, as crews perform paving operations.
Pensacola Bay Bridge (U.S. 98) Replacement – Drivers will encounter alternating lane closures and lane shifts on the Pensacola Bay Bridge from 8 p.m. to 5 a.m. Sunday, Jan. 16 through Saturday, Jan. 22. Crews will be using lanes on the current bridge as a platform to pour concrete decks for the westbound (Gulf Breeze to Pensacola) structure.
I-10 Resurfacing East of S.R. 281 (Avalon Boulevard) to East of S.R. 87 – The eastbound lane will remain reduced to one lane at the County Road 191 Overpass Bridge (Exit 26) until work associated with bridge approach construction is complete. Motorists can also expect intermittent lane closures from 6 p.m. to 10 a.m. the week of Monday, Jan. 17 as crews perform construction activities.
U.S. 98 Widening from Bayshore Road to Portside Drive – Major roadway construction activities are currently underway. Improvements include widening the roadway from four to a six-lanes with a raised median, safety, and drainage upgrades, resurfacing Avalon Boulevard from U.S. 98 to Garcon Point Bridge, extending the existing shared-use path on the south side of U.S. 98 from Gondolier Boulevard, and new signage and pavement markings.
U.S. 90 Simpson River Bridge Project: Drivers will encounter alternating lane closures between 8 p.m. and 5:30 a.m. as crews place temporary asphalt.
All activities are weather-dependent and may be delayed or rescheduled in the event of inclement weather. Drivers are reminded to use caution, especially at night, when traveling through a work zone and to watch for construction workers and equipment entering and exiting the roadway.
This article originally appeared on Pensacola News Journal: What Escambia, Santa Rosa drivers can expect traffic through Jan. 21
How I survived a blizzard in a Corvette Z06 on summer tires
Jonathon Ramsey and his Corvette Z06 left for Florida in good weather. A delay had him returning in a blizzard. Oops. How he survived the journey.
The president of Emirates says the 5G rollout that led to flights being canceled is 'one of the most delinquent, utterly irresponsible' situations he's witnessed
Airlines including Emirates and Air India canceled flights over 5G safety concerns, though Verizon and AT&T later delayed the rollout near airports.
2022 Ford Shelby F-150 Raptor revealed, won't let you forget what it is
Shelby unveils its $124,820 2022 F-150 Raptor, with 525-plus horsepower, a lift kit, and the word "Shelby" plastered on every surface imaginable.
Comparing the back seat space of the Hyundai Santa Cruz and Ford Maverick, including for rear-facing child seats.
Airstream's First Electric Trailer Concept Comes With a 242 HP Powertrain and Parks Itself
You can even control the emissions-free motorhome via your tablet or smartphone.
Talgo trains sat idle in a Milwaukee facility now heading to Nigeria
High speed trains, originally for travel between Milwaukee and Madison, are heading to Lagos, Nigeria.
Motorious
The Famous Stolen SEMA Challenger Is On The Market
Who knew being stolen would contribute to such a high asking price.
Influencer pilot who crashed his plane is under investigation after being accused of staging the incident so he could make a YouTube video about it
Trevor Jacob released a video in December of him crashing his plane, which aviation YouTubers said was suspicious.
Rev Group exits IndyCar sponsorship at Road America
Brookfield-based Rev Group Inc. decided not to extend its title sponsorship of the IndyCar Series race at Road America.
Chevy Chip Shortage Nixes One Feature
Oh how will we ever live without this?
Marine charged in crash that killed 2 Marines and injured 17 others
The drivers and passengers of both vehicles came from the Marine Corps Base Camp Lejeune.
The 2022 Lexus LX600 Attempts an Impossible Combination of Luxury and Off-Road Ability
How do you turn the new Land Cruiser into the top of the Lexus lineup? With a lot of compromise.
Cummins, the Queen of Diesel Engines, Is Going Electric
The manufacturer is creating a battery-powered truck prototype with Isuzu Motors, the Japanese maker of electric trucks.
Dealers who don't end bad practices like overcharging on reservation fees, adding massive "market adjustment" prices or using sales brokers will risk losing their Chevy Corvette Z06 allotments.
Fire truck and vehicle collision in Magnolia leaves two people dead
A fire truck and vehicle collided at White Horse Pike and Warwick Road, killing two people in the vehicle and injuring three firefighters.
Meet the E-RV, Winnebago's First All-Electric Camper Van Concept
Its range may not sound impressive until you take into account everything it can carry.
Fiero-based Zimmer Quicksilver was objectively terrible, but we'd totally drive it
The Zimmer Quicksilver is based on the Pontiac Fiero with over a foot of extra wheelbase added in front of the A-pillar to make for a dramatic, long and low silhouette that seats two.
I tested Tesla-fighting electric SUVs from Ford and Volkswagen. Here's why I'd buy the Mach-E over the ID.4.
In my book, the Ford Mustang Mach-E is more fun to drive and better looking than Volkswagen's ID.4. But both are excellent options for going electric.
Ferrari Enzo Wrecked In The Netherlands
A dagger in our hearts!
What's closed Friday in anticipation of winter weather in Pensacola area
Illness surges in Santa Rosa Building Inspections Department, residents can expect delays
Reasons Why You Should Plan a Visit to Pensacola for Your Next Non-Beach Vacation
Southern Living Videos
Winter weather prompts schools, Escambia County office closures as freezing rain predicted
Scholarships give Santa Rosa County kids from foster and low-income homes chance at sports
Santa Rosa County loses lawsuit over school impact fees; school board reviewing options
Guilford County: Wrong-way driver causes fatal crash, all south I-40/85 lanes shut down
Tracy road study to bring 'Do Not Enter' signs for drivers as part of pilot project
KCRA - Sacramento Videos
Volunteers needed to help complete Escambia, Santa Rosa homeless population count Monday
Stretch of Palm Canyon in Palm Springs to close Thursday for maintenance. Here's how to get around it
Rafferty family donates $1 million to new Pensacola community center at Legion Field
Tougher rules for Pensacola e-scooters wins approval from City Council
RAW: Driver Crashes On Business 80 While Trying To Weave Through Traffic
Sunday's Child to award $120,000 in grants to Pensacola area nonprofits

redpajama_set_name: RedPajamaCommonCrawl


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Scheduled to arrive in stores: February 13, 2013
Cover date: April 2013
"H'el on Earth: Lost Cause!"
Pencillers: R.B. Silva
Inkers: R.B. Silva
Cover: R.B. Silva & Java Tartaglia
NASA staff are running around in panic as solar flares increase to previously unheard of levels. The flares are so powerful they are burning out satellites orbiting the sun. They do know that something on Earth, at the North Pole is connected to it but are unsure whether it is the cause.
Batman, Superman, Wonder Woman, Superboy, a hologram of Dr. Veritas and Cyborg know for sure. They watch from outside the Fortress as the star chamber activated by H'el begins draining the sun of its power. Superboy quizzes the heroes and Superman angrily vows that they must destroy the chamber.
The Watchtower orbiting satellite contacts the heroes. The Flash, who disappeared after a conflict with H'el, radios in and requests that Batman and Cyborg help him coordinate rescue missions for the havoc being caused. They agree leaving just Superman, Wonder Woman and Superboy to save the world. Dr. Veritas bows out as the star chamber begins to disrupt her hologram tech and so this trio formulates a last ditch attempt to succeed.
Despite the odds, Superman remains calm and composed, a fact that Kon finds astounding. He was always reluctant to take part, to get involved and was generally out only for himself but Superboy, in the presence of two of the world's greatest champions, decides there and then that it is finally time to take a stand and be the hero Superman told him he could be.
High above them the star chamber is glowing and humming with more and more power. H'el and Supergirl have a heart to heart. H'el does his best to convince Kara that "the earth and its populace won't feel a thing", and despite his repeated play on words Supergirl still ignores her common sense and listens to this man who offers her everything she ever wanted.
She begins questioning the higher than expected solar readings but H'el brushes her off with talk of her being his inspiration and suchlike but something out of her line of sight catches H'el's attention and he teleports away. When he materializes it is to interrupt the attack plans of Superman. He flings both Clark and Diana into the air and attacks Kon. Despite repeated failures H'el can't understand why they keep trying to stop him and he takes it out on Superboy by dismantling the armor suit.
As Superboy begins unravelling he flails as he is teleported away and doesn't see Superman fighting for him. H'el electrocutes the Man of Steel and redresses him in his family armor so that he can die with minor dignity. With a second wind Wonder Woman returns ready for combat but Superman writhing in agony instructs her to help Superboy. Diana reluctant to flee from a fight, trusts Superman's judgement and tries to locate Kon.
Inside the Fortress, in a crater beneath the star chamber, which has risen out and above the Fortress, is Kon. He awakens and now in just his neonatal suit, Kon struggles to use his restored TTK to hold himself together and agonizingly tortures himself back into action. Kon tries to fly up to the star chamber so he can fulfill the mission.
As he floats slowly upwards desperately knitting himself together he is interrupted by The Herald. The strange creature has arrived to investigate the source of the world's end. The Herald explains he is there to witness a world with no hope but Superboy retaliates that the world DOES have hope... Superman, and attacks the strange creature with shards of ice.
The Herald is surprised by the attack and offers Superboy a glimpse of his possible future. Should he survive today, he could be a force to shape the destinies of untold worlds. With that fortune told the Herald disappears. As Superboy recovers his composure, small rifts and black holes begin appearing as the star chamber begins overloading, tearing open the time stream.
The Herald arrives at the edge of the universe to meet his master and admits he blew the horn (in Superman #1) to signal H'el's arrival, and the Earth's inevitable end. We cannot hear Oracle's voice but we do hear Herald also admit he has since detected five anomalies on Earth that could disrupt the cosmic balance.
At the same time Superboy is navigating through micro time storms to reach the star chamber. With his strength wavering, Kon is determined to reach his goal but his journey is interrupted again as Supergirl tries to stop him. Superboy tries to appeal to Supergirl, trying his best to make her see through H'el's machinations. Supergirl responds with excessive violence, Superboy endures blow after blow desperately holding his body together and imploring for Supergirl to listen.
Supergirl refuses to listen to a clone. Clones in the past had done terrible things, they were killers. Superboy rightly points out that he is not the same as the clones past and that if he was the killer she believed he was why was she the one delivering the savage beating? Kara grabs her opponent by the throat and orders Kon to walk away and allow H'el's harmless plan to follow through, or force her to kill him. Superboy valiantly refuses to back down and before Supergirl strikes her killing blow Wonder Woman swoops in and slams into Kara.
As the two females begin to beat each other to a pulp, a battered, bruised and bleeding Superboy crawls out of the icy rubble and spies his goal, the star chamber... Gathering the last of his strength Superboy vows to destroy the chamber or die trying!
To Be Continued in... Supergirl #17 followed by the finale in Superman #17.
Story - 4: Finally, finally, Kon begins to act like a hero. The kind of hero that fans had been asking for since the revamp. This issue was a really good romp that was characterized extremely well. The only thing that felt forced was the scene with the Herald and his glimpse into Superboy's future. Although it was good to see someone other than Superman offer Kon positive feedback AND have him listen. With all life on Earth at stake, not to mention all of time, it seemed bizarre that Batman, Cyborg and Flash would dash away when it seems like an 'all hands on deck' moment...
I'm keen to hear from the readers about the fight in this issue. Last chapter, Superboy blindsided Supergirl into the ice which instigated a violence against women debate. This issue it was turned around in a more brutal fashion, what are your thoughts folks?
Art - 3: The art was not up to its usual standard. Inks were reminiscent of Kenneth Rocafort and for what we've grown accustomed to it felt out of place. All said, self contained, the art is still pretty slick and action packed. It's just the signature style that seems to be changing in technique.
Cover Art - 3: The ingredients are there but nothing here really sits well. The Herald just looks goofy and Superboy is swinging a powerful slam punch, but the layering and perspective is off and so he doesn't even look like he is attacking Herald. If the blow had actually connected I'm sure it would have been a far more impressive offering.


Planning ahead is always better, especially when it comes to the holidays. We're going to break down why, as an influencer, you should have all of your holiday planning done before Halloween! The holiday season is the highest grossing time for retailers, and so it should be the same for influencers. Use this time to prep and line all of your ducks in a row so that you'll profit as much as possible!
Planning early means you'll have plenty of time to take photos and gather your content. If you don't have the resources to do a photoshoot for every blog post, we suggest using a website such as Polyvore to create collages of looks that your followers can shop.
Once you've picked your topics that you'll be covering during the holidays, write down a to-do list and write everything out on a calendar. Being able to visualize your plan will make it that much easier to accomplish. Make sure you give yourself realistic goals and have everything ready and set to post by Halloween. This way, you can start rolling out content and start thinking about your campaigns for the new year before it sneaks up on you.
Another upside to getting an early start on your holiday planning means that you have a higher chance of setting up brand collaborations. Most brands have their holiday campaigns planned out about 6-7 months in advance, so it's a good idea to reach out even earlier to put yourself on their radar. Make sure that the brands you're reaching out to are in line with your voice and vibe.
When making your list of products that you'll be talking about in your blog, it's crucial to check the availability of those items – not only before but also throughout the holidays. It's typical for popular items to sell out, and the last thing you want is your followers clicking on a bunch of links for products that are unavailable. If a product is sold out, offer similar items in the same price range as a substitute!
Utilize your e-mail list during the holidays and offer your followers special discounts! Whether you're a company selling goods or a blogger with a discount code for a brand, offering a deal will catch your audience's attention. Make sure that you post coupons on all of your social media channels as well – people are always looking for discounts during the holiday since their shopping list is long.
Planoly has so many helpful features to make it easier for you to organize your content, schedule, and plan! When you've picked out products for upcoming holiday blog posts, you can plan out your IG Stories ahead of time on Planoly to feature those items. Be creative and fun with your IG Stories! Sprinkle in some videos of you (not just products) to make it more personalized for your followers, whether you're holiday shopping, baking, working, or showing a favorite fall outfit. When it comes to scheduling IG posts, you can use our Drafts feature to save all of your images in separate Drafts folders. Name each one according to the blog post topic, add the content, and easily schedule them onto your grid!
Continue to promote your content throughout the holidays! Even if it's a post you've already published, keep sharing different detail shots to keep it fresh for your follower's eyes. We suggest being creative through IG Stories and adding product links if you can. You should also be posting on Twitter, Instagram, Facebook, Pinterest, YouTube, and all social platforms. Check your analytics throughout the holiday season to see which posts are performing better. That way, you'll know what your audience is responding to, and this will help you with content ideas in the future.
Pro Tip: Always remind your followers to click your link in bio for more details and use hashtags to ensure your post is getting exposure.
Take away the stress of the holidays for you and your followers by planning ahead! Follow these easy and accessible tips to create the best holiday content that your audience will adore. You'll feel so organized and free from worry knowing that all of your content is ready to share by Halloween. You'll even have time to sit back and enjoy a glass of champagne with your family and friends. Cheers to planning!


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Kate Winslet on missing 'close friend' Leonardo DiCaprio during pandemic: 'We're bonded for life'
Kate Winslet and Leonardo DiCaprio privately reconnected in Los Angeles recently for the first time in three years — and it sounds like the reunion was emotional.
The actors, who met filming 1997's Titanic and shared the screen again for 2008's Revolutionary Road, haven't seen each other due to the COVID-19 pandemic. According to Winslet, she "couldn't stop crying" when she hung out with her friend again.
Kate Winslet and Leonardo DiCaprio at the Oscars together in 2016. (Photo: Reuters)
"I've known him for half my life! It's not as if I've found myself in New York or he's been in London and there's been a chance to have dinner or grab a coffee and a catchup. We haven't been able to leave our countries," she told The Guardian. "Like so many friendships globally, we've missed each other because of COVID. He's my friend, my really close friend. We're bonded for life."
The Oscar-winning actress was apparently shocked when she realized how long she's known DiCaprio.
"Do you know Leo just turned 47?" she asked. "I turned 21 on [Titanic], and Leo turned 22."
The journalist told Winslet a story about how he interviewed DiCaprio back then and that the actor complained about Titanic's taxing production. Winslet let out "a raucous laugh."
"I remember! I remember that he was [miserable]! It wasn't pleasant for any of us, but we were all in it together. Though he had way more days off than I ever bloody did," she quipped. "I guess I was raised to be grateful and just get on with it. I didn't feel it was my right to be miserable, and if I was miserable I certainly would not have let a journalist know."
Winslet laughed again, "There is no way I would have let that slip!"
Malay Mail·2-min read
Angry woman in China shreds 32 wedding gowns after bridal salon refuses to return deposit money (VIDEO)
Malaysiakini·4-min read
PSC members dispute chairman's decision to postpone hearing on MACC chief's shares
Woman cashes in from selling her urine with buyers making ice cream from it
Kim Kardashian and Pete Davidson are making 'the effort to get to know each other': Source
Britney Spears blasts family, teases new song: 'I haven't forgotten what they did to me'
Chris Noth called 'toxic' by former 'SATC' co-worker, old restraining order against actor unearthed
MMA welcomes Putrajaya's proposed white paper on healthcare reforms
KUALA LUMPUR, Jan 17 — The Malaysian Medical Association (MMA) lauded today the Ministry of Health's (MoH) proposal for a white paper on reforming the country's healthcare system. MMA president...
KUALA LUMPUR, Jan 17 — A former professional photographer is now cashing in from selling her urine. Kactus Kutie, who began making adult cam videos in 2016, told Daily Star she has a steel bladder...


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Google Hit With Second Antitrust Suit Alleging Illegal Monopoly In Online Ads
Ten state attorneys general accuse the tech giant of abusing its power to manipulate the digital ad market and crush competitors.
Google Abuses Its Monopoly Power Over Search, Justice Department Says In Lawsuit
Bobby Allyn
The antitrust lawsuit against Google is the most significant action the federal government has taken against a technology company in two decades. Google calls the lawsuit "deeply flawed."
Justice Department Files Landmark Antitrust Case Against Google
The litigation marks the government's most significant act to protect competition since its groundbreaking case against Microsoft more than 20 years ago. The suit could be an opening salvo ahead of other major government antitrust actions, given ongoing investigations of major tech companies including Apple, Amazon and Facebook at both the Justice Department and the Federal Trade Commission.
Google Buys Fitbit For $2.1B, Stepping Back Into Wearables
Google is buying Fitbit for about $2.1 billion, enabling the internet company to step back into the hotly contested market for smartwatches and health…
Duke Program Lets Big Users Buy Renewable Energy Elsewhere
Duke Energy is rolling out a new program that clears the way for large customers to buy solar or wind energy from independent power producers.Enrollment…
Google Grant Helps Goodwill Add Advanced Tech Training
Charlotte's Goodwill Industries is expanding its free technology training program, called Goodwill University, thanks to a $300,000 grant from Google. The…
Duke Signs Deal To Sell Solar Power To Google Data Center
Duke Energy and Google announced a deal Tuesday that will supply Google's Lenoir data center with power from a new solar farm under development in…
Google Fiber - What's In It For You, Charlotte And Google?
It's official, tech-giant Google is bringing its high speed internet service to Nashville, Raleigh-Durham, Atlanta and Charlotte. Now, we know it's…
It's A Go From Google; Charlotte Picked For Google Fiber Expansion
On Tuesday, Mayor Dan Clodfelter uttered six words that might change your internet service, "Google Fiber is coming to Charlotte."Google Fiber is a high…
Google A Go? Charlotte Waits For News On Google Fiber
Google has announced it will hold a press conference in Charlotte Tuesday afternoon.So, what's the big deal?WFAE's Tom Bullock is here to explain.Mark…


Every computer user must have come across file errors. Some get the 'file in use' error while some get the 'long path name' error. Apparently these are all bugs and were created unintentionally by the programmers of the Windows operating system. Actually, Windows doesn't allow the modification of files and folders which have path names of 255 characters and more. But the system itself gives longer names to the files and folders to make them accessible from many locations and shortcuts. This attempt to simplify the files and folders created another major problem in turn. That is the long destination name error.
The irritating problem with such files is that normally we cannot delete, copy or even rename them. Let alone the Windows explorer, even the FAR manager cannot help with this problem. But don't worry, the Long Path Tool can manage it easily. It is the dream tool that we all were waiting for. Even when Windows itself failed to solve the bug, people had lost all hopes but with this tool, all hopes were regained and nobody cared if Windows brought out a fix to it or not. The Long Path Tool is very powerful and more than efficient in solving all the major file and folder errors. It is very very light on system and you will be surprised to know that it weighs less than 2MB in size! It is a big dynamite in a small packet!
The Long Path Tool showcases and nice and clean and effectively simplistic user interface which will make it look like a child's play. But no, seriously, it really is a child's play to fix the file errors with the help of the Long Path Tool. Its file-scanning speed is amazing and it processes and scans the longest file names in just a few moments. It can run on any version of Windows and requires negligible space to sit. It can delete long path name files along with the system locked files and can rename and copy them also. It can unload the locking process and help with the deletion of deep destination files after reboot.
The Long Path Tool doesn't have just a single function. It boasts of a plethora of functions hidden in its small packaging. But having said that, do not judge it by its size. It will amaze you with its capabilities. So you ask what all can it do? Every error that you can think of can be fixed by this big daddy. No other tool has been able to do it before this tool came along our way. Do you get an error while copying files or folders? Or do you get errors during deleting them. Worry not. Let the Long Path Tool do the hard work for you and all you need to do is sit back and just do some simple clicks. Sometimes the paths are so long and complicated that we don't even get to know when a software or a function of Windows is using that folder. When we try to open it or delete it, the error shows up as 'file already open' or 'file in use'. This creates a confusing situation many times for the users as they don't even realise that the file is open. The Long Path Tool can also solve this problem. It detects the problem and closes the application which is using the file or the folder so that you can access it and modify it as per your needs.
The Long Path Tool makes solving all these errors a breeze, seriously. And now you must be thinking to yourself that how are you going to use such a complicated tool. Well, even an eleven-year old can use this tool. It is very simple and clear with its functions which makes it extremely user-friendly. You don't need to be a computer expert or some computer hacker to use this too. All you need is just some minutes with it and then you will have known it inside out! Now your next question must be whether it will support your computer or not. Well, Long Path Tool is made for all kind of a software. It can run on literally any version of Windows operating systems. All it needs is just 200 megabytes of RAM and a decent processor speed. Even if you are running a Windows 98 computer in 2014, you need not worry as even your computer can enjoy the benefits of this tool, truly. Let's just sum up all that it contains. Its small, check. It can do everything, check. It can run on any computer, check. It can be used by everyone, check. Its free forever, check. So what are you waiting for? Go download this super tool and make your computer files error free!


Vialex continues to grow its Legal Counsel Service team with the appointment of Liz Chalmers as a legal adviser. She joins after six years at Pinsent Masons LLP (legacy McGrigors LLP) where she undertook her traineeship, qualifying into the non-contentious intellectual property team. She is a specialist in intellectual property and commercial contract work and also a part-time tutor providing distance learning support to the University of Edinburgh Intellectual Property LLM.
Alongside her IP and contract skills, Liz brings substantial experience in data protection compliance, marketing and advertising regulation, consumer protection and e-commerce, supply and licensing of software and agency and distribution arrangements. Importantly, having worked as in-house counsel, she has an understanding of the day to day commercial needs of clients and the importance of delivering focussed and practical advice to meet those needs.
Seona Burnett, Senior Legal Adviser said "We are delighted that Liz has joined us. Her focus at Vialex will be to work alongside other members of the team to meet the increasing demand for our outsourced in-house legal counsel service and further strengthen our offering to clients."


A probation violation is the last thing you need to face if you have already served your time. Many probation and parole violations can be resolved through negotiation and communication. We can help you show the prosecution that you are working to follow the terms of you probation and parole and defend you if you have not violated any terms. We can also file motions to terminate your probation or parole early as well.
We can help you defend your rights and work with you during any parole and probation violations. Contact us today for a free consultation about your case.


As the president and CEO of American Water – the largest publically traded water/wastewater utility in the country - Susan Story has risen up the ranks to lead a team of 6,700 at a company that provides water to more than 15 million people in 47 states and Ontario, Canada.
GSA Business Report had the opportunity to sit down with Story and talk about her experience and water quality across the country.
GSA: You are the CEO of a large public utility. So, give us your background. How did you get to where you are today?
Story: With an engineering undergraduate degree and an MBA, I worked 31 years for a large southeastern electric utility, moving up in the ranks from a nuclear power plant engineer to being the president and CEO of two of Southern Company's subsidiaries. Almost four years ago, I was recruited to American Water as CFO, a position I served in for a year before becoming CEO in May 2014.
GSA: How about the challenges of being a woman in what could be conceived as a male-dominated industry? What challenges have you faced and how have you overcome them?
Story: Things have changed significantly for women since I began working in my professional career in 1982. The utility industry is predominantly male, especially given the prevalence of front line, physical jobs which are traditionally male. However, the number of women leaders in this industry is increasing significantly. You can find female representation in every part of our company from frontline to supervisor to scientist to CEO. And that goes beyond male and female; there is more diversity across the board, which makes our company stronger.
There were challenges, especially early in my career. I found that the most important things I did to overcome obstacles is to first, not let yourself be defined by others; second, be the very best I could and can be and go above and beyond (and at times that meant being better at my job than others I was working with even to be considered just as good); and third—always take the high road. In the situations where I believe I was not treated fairly, I did not "stoop" to their level—I took the high road and always committed to giving and being my best and treating others with respect, including those who did not give me the same respect. People noticed. And I came out on top.
GSA: What advice do you give to women either looking to start a company or women rising through the ranks to be in leadership positions in companies? How can they be successful?
Story: First and foremost, be good at what you do. Competence in your job and the ability to deliver results with integrity is always the foundation and baseline for moving up. Second, understand what your principles and values are around the type of leader you want to be.
Basically, it discusses the need to first, be able to objectively know yourself and your strengths and weaknesses; second, how to embody and radiate the purpose of your organization and communicate clearly why the folks you lead can be proud to be part of your organization's journey; third, what I call servant leadership and what is basically understanding that it isn't about you, it's about the people that you lead and knowing their hopes, dreams and developing them to their fullest potential; and last, having the skills to be both strategic and when needed, tactical and knowing how fast you can move your organization forward to the future. This includes the instinct of knowing what you must keep from your company's history and past that made you successful and culturally strong, but also--and more importantly--what you must let go of to be successful in the future.
GSA: Let's talk water. There are still rumblings over the water situation in Flint, Mich., but tell us about your knowledge of the water quality in South Carolina and, in particular, the Upstate.
Story: American Water is the largest water and wastewater utility in the U.S., serving about 4% of the population with regulated operations in 16 states. Our market-based businesses serve 12 military installations and more than 40 states. We do not, unfortunately, have regulated utilities in South Carolina. However, in regards to the water situation across the U.S., we have three main areas of focus: water supply, water infrastructure and water quality. The first relates to whether we have enough water supply where we need it. South Carolina is not in the situation that California, Texas and parts of other states are in regards to drought conditions and having sufficient ground water or surface water. Water infrastructure is a different situation. In the U.S., by 2020, 44% of all water infrastructure will be classified as poor, very poor or beyond life, and the estimate by the American Society of Civil Engineers is that we will need almost $1 trillion dollars over the next 20 years to upgrade it. We lose 25% of all treated water—or 200 billion gallons—every year in the U.S. through old pipes. This is widespread throughout the country.
And as to water quality, the challenges continue to grow. There are over 50 million chemicals that are registered today, with a new chemical forming or being developed every 2.6 seconds. There are over 1,400 microbes (bacteria, viruses, protozoa) known that can affect drinking water. The EPA regulates about 90 of all of these, and it is physically, economically and technically impossible to monitor for them all. So we in the water industry must identify the most likely threats and find ways to address these issues before there is another Flint, which is a tragedy we must all learn from.


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Free birds of prey display
FAMILIES from South Cheshire are being invited to see a free birds of prey display.
Rhiannon Hilton
Representatives from Gentleshaw Wildlife Centre in Staffordshire will be hosting the display at Bridgemere
Garden World this weekend (April 16 and 17) from 10am - 4pm.
Garden centre manager Marc Haigh, said: "We're delighted to welcome representatives from Gentleshaw to the garden centre.
"Visitors will be able to get up close to some fascinating birds of prey, learn about their habitat and why they were rescued by the centre.
"There will be several different birds on show, including an owl and a hawk."
Gentleshaw Wildlife Centre, which is located in Eccleshall in Staffordshire, was founded in 1993 by the late Rob Smith, an ex-gamekeeper, who had a keen interest in wildlife.
The centre is dedicated to the rescue and rehabilitation of wild birds of prey and also provides educational talks to schools and visitor groups to help people become more aware of the dangers birds of prey face.
Bridgemere


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Poisoned People
Via Greenpeace Africa
Written by Mike Baillie
CHAPTER 1: POISONED PEOPLE
By Mike Baillie
Sonto Mabina has a haunting smile. Even with her hat pulled all the way down, you can't miss her slightly crooked grin and the creases around her mouth – but it's actually her eyes that do all the work.
She works at a small tuck shop that's just a short walk from her home in an informal settlement over the train tracks outside Witbank, in Mpumalanga.
She's lived here for 25 years, arriving well before the three coal washeries that now surround her house. Through a crumbling wall in one of her rooms, she looks out over a toxic landscape. Black earth, roaring coal trucks, acidic water pits, and somehow, a community of footpaths that twist and turn through it all.
Kids are playing outside. It's just been raining and there are black puddles everywhere. A man rides past on a bike, a young girl, possibly his daughter, perched on the handlebars.
Sonto turns away and comes to sit on her bed where a shaft of light washes down through a gaping hole in the roof.
Sonto Mabina, or Katerina as she likes to be called, lives with her husband, Andries. Their house has no electricity or water and Katerina uses a coal stove to cook their suppers, the black plumes of smoke clouding their home.
A municipal truck brings water once a week, but most say it's too polluted to drink. If you can afford to, you buy bottled water in this area of the country; if not, you boil it like Sonto does and you hope for the best.
"Dust is my main problem," she says.
"Every time my child goes to the hospital it's because of the dust. The doctors say his chest is full of it. The doctors asked me where I lived and I told them. My other child also has problems with his nose because it is always running – the dust affects him too."
It's an everyday problem here. Virtually every person we spoke to had a story of how coal plants and coal mines were making them sick. TB, coughing fits, red and leaking eyes, and childhood asthma – we heard it all.
Take Mrs Machete, for example. She and her family live in Masakhane, a community in the shadow of the Duva coal-fired power station.
CHAPTER 2: THE WORLD'S DIRTIEST AIR
After studying air quality in the Witbank area for almost two years, a team of scientists from the European Union came to an alarming conclusion. Looking at their data, they found that Witbank's air was the world's dirtiest – even when compared to the likes of Beijing, where people wear face masks to protect themselves from air pollution.
According to one report, the levels of some pollutants (chromium and barium) were so high that the research team's instruments had been unable to take accurate measurements.
It's no coincidence that Mpumalanga is also home to eleven of Eskom's coal-fired power stations. A twelfth is currently being built and when completed, Kusile will be one of the world's largest, burning 17 million tons of coal a year. It will also ramp up South Africa's carbon emissions by another 10% -- cementing our position as one of the world's highest contributors to climate change.
At the same time, about 220 million tons of coal are mined in Mpumalanga a year – that's almost 90% of South Africa's annual total. If we sorted those 220 million tons into one-ton blocks, each 1-meter tall, when stacked they'd reach more than half way to the moon.
The impact of coal on human health is hard to overstate. Even Eskom's own documents acknowledge that its polluting power stations are killing people.
According to an Eskom-commissioned report, air pollution caused by its coal power stations is killing at least 20 people a year – and that toll could jump to 617 deaths, with 25 000 people hospitalised, once all its stations are operating. These would include the mega coal plants, Medupi and Kusile power stations, currently under construction in Mpumalanga and Limpopo.
On Medupi specifically, the report found that with its 200m-high stacks, the plant will spread sulphur dioxide emissions over the whole Limpopo region, including the town of Lephalale, which now has a population of around 60,000 people.
The report states that people will die from the emission of sulphur dioxide, nitrogen dioxide, and particulate matter, which cause chest problems and cancer.
Meanwhile Greenpeace's own research has found that air pollution from Eskom's coal-fired power plants is currently causing an estimated 2,200 premature deaths a year. This includes approximately 200 deaths of young children every year.
CHAPTER 3: A NASTY DOUBLE IRONY
It's a twisted reality that while people like Katerina and Andries are so intimately affected by coal-related disease and pollution, they don't get any electricity themselves. They breathe-in and get sick from the pollution coming from the very coal that provides electricity for our country, yet they sit in the dark, paying with their health for a service they can't access.
David Khumu lives in the same community as Katerina, and like her he's on the doorstep of two coal washeries – sites where coal is washed 'clean' before it's used in Eskom's coal plants, by other heavy industries, or exported.
The washing is an intensive process that uses vast amounts of water, leaving behind giant, lifeless dams poisoned with hazardous chemicals. It's far from the the ideal place to be living – especially with two young children. But David's lived here for almost 20 years, long before there were mines and washeries. And in those 20 years, he still hasn't got tap water – but the washeries across the path get all they need.
Greenpeace: The coal here is used to make electricity – but you don't have electricity. The mines use a lot of water – but you don't have water. How does that make you feel?
David Khumu: It hurts me inside and it is stressful because everything is there. They have electricity, we don't, they have water and we don't. Which means apartheid is still there… Maybe they can move us to a proper place where we can live like humans.
But the sad reality – the kicker to this story – is that many people can't move away; many choose to stay put. Over the years communities have grown in between the mines and coal stacks, and many families are now directly dependent on them for work.
The tuckshop where Katerina works, with its Coca-Cola, surf washing powder, and matches, is an example of this. Despite the toxic landscape and the real human costs, an economy and a way of life has emerged here, and that's not about to change any time soon – but there is something we can change.
CHAPTER 4: THE SILVER LINING
Everyone has the right to:
An environment which is not harmful to their health or well-being,
Have the environment protected for the benefit of present and future generations through reasonable legislative and other measures that:
i Prevent pollution and ecological degradation,
ii Promote conservation,
iii Secure ecologically sustainable development and use of natural resources, while promoting justifiable economic and social development.
-- Section 24, South African Constitution
South Africa has legislation to limit the amount of pollution that the likes of Eskom can pump into our air. That legislation was designed to protect human rights guaranteed by our Constitution. In terms of the legislation, Eskom's power stations must meet a set of minimum emission standards by April 2015, and Eskom has known about this deadline since 2005.
In December last year Eskom applied for "rolling postponements" – a technical term meaning that, if successful, two thirds of Eskom's coal power stations would not have to comply with emission standards. Basically Eskom is seeking permission to continue pumping massive quantities of pollution into the air, at rates much higher than our country's emission standards allow. In the utility's application, Eskom stated that the costs of meeting the standards were too high and that "it is not practically feasible or beneficial to South Africa to fully comply with the minimal emission standards".
The bottom line: South Africa has laws to protect Katerina and David from coal-fired power plants – standards that would limit the amount of disease-causing sulphur dioxide and mercury that is released into the air and breathed in. But Eskom is actively trying to bypass those very laws.
And this is where you come into the story.
Eskom's application is still under consideration. Now's our chance to speak up and demand that Eskom be held accountable for their pollution. Communities in Mpumalanga and across the country have a constitutional right to a healthy environment. Together we can ensure that those rights are protected, that human rights are put before profit and pollution.
http://www.greenpeace.org/africa/en/campaigns/Climate-change/coal-testimonies/
Stop Eskom's Mega Pollution Application!
Right now Eskom is attempting to bypass pollution laws designed to protect our health. At some coal plants, Eskom is hoping to pump out eight times more pollution than the legal limit.
Eskom says complying with the law would cost them too much, and that its coal plants don't affect human health – a claim that even Eskom's own research has rubbished.
Findings show that complying with the pollution standards would prevent up to 20,000 premature deaths – not complying could cause them.
Act now: Tell the National Air Quality Officer to deny Eskom's application for a free pollution ticket.
http://www.greenpeace.org/africa/en/getinvolved/cancel-eskoms-application-to-pollute-freely1/
Greenpeace: I heard you speaking about nostrils outside?
Mrs Machete: Yes, you find black dust coming out and when you try to clear your throat black saliva comes out... They don't tell us anything at the hospital; they just give us medication and say we will get better. But when you try blowing a child's nose, or if you have the flu and try to blow your nose, you will see black mucus on your cloth.
G: Black like the dust of a coal?
M: Yes, black like the dust of a coal to show that this coal does affect us.
After a blast, a cloud of dust would smear the sky and later disappear into the atmosphere. We noticed that our vegetation and garden plants changed colour and when we ate any of the veggies or fruits from our gardens, we fell sick. Clearly this dust was harmful.
Everyone here in the community knows that most health problems are derived from the mines, even the kids know. Everyone complains of sinus or TB.
Stop ignoring the facts that mines are the major course of TB in this area."
Patrick Jacobs, from Scoonkasurf, Witbank.
At one point I had to take my son to the emergency room once every week. The doctors even thought that I was abusing my child. [A specialist] told me Jimmy was allergic to dust and that his chronic bronchitis was caused by dust.
I even took unpaid leave and acquired loans to cater for the hospital bills. I was also one of the first people to be retrenched at work because I was never at work due to Jimmy's health problems."
Hannelie Slabbert, Middleburg
Greenpeace Africa Launches Solar Power Rooftop System


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Norma Jean Stampfel
Obituary of Norma Jean Stampfel
Stampfel Norma Jean (Chickis) Age 69, of Upper St. Clair, on February 27, 2022. Beloved wife of James R. Stampfel, loving mother of Pastor Jennifer Stampfel, sister of Robert (Grace) Chickis, Gary (Marcia) Chickis and the late Baby Richard Chickis, the late Frank "Fritz" (Judy) Chickis and the late Gregory Chickis. Also survived by many nieces and nephews. Norma volunteered at Washington City Mission and was an active animal advocate. She was a true animal lover. Friends received Wednesday, March 2, from 4-8 pm, at the Warchol Funeral Home, Inc., 3060 Washington Pike, Bridgeville (412-221-3333), where a funeral service will be held Thursday, March 3, at 10 am. In lieu of flowers, memorials may be made to an animal rescue of the donor's choice.


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Schneider Research Group
Computational Environmental Catalysis
Bill Schneider Current Lab Members Former Lab Members Group Photo Group Meeting Schedule Available Positions
Overview Zeolites for NOx Reduction Catalysis at Metal Surfaces Catalysis for Shale Gas Energy-Directed Catalysis
Group Wiki
Refereed Publications and Book Chapters
Recent Publications 2011-2015 2006-2010 2001-2005 1996-2000 1989-1995 Book Chapters and Proceedings
S. Li, R. Gounder, A. D. Debellis, I. Müller, S. Prasad, A. Moini, and W. F. Schneider, "Influence of N,N,N-trimethyl-1-adamantyl Ammonium Structure Directing Agent on Al Substitution in SSZ-13 Zeolite," J. Phys. Chem. C 2019, in press. doi:10.1021/acs.jpcc.9b05334
S. Matera, W. F. Schneider, A. Heyden, and A. Savara, "Progress in Accurate Chemical Kinetic Modeling, Simulations, and Parameter Estimation for Heterogeneous Catalysis," ACS Catal. 2019, in press. doi: 10.1021/acscatal.9b01234
H. Ma, S. Li, H. Wang, and W. F. Schneider, "Water-mediated reduction of aqueous N-nitrosodimethylamine on Pd," Environ. Sci. Technol. 2019, 53, 7551-7563. doi:10.1021/acs.est.9b01425 article-on-request
P. Barboun, P. Mehta, F. Herrera, D. Go, W. F. Schneider, and J. C. Hicks, "Distinguishing Plasma Contributions to Catalyst Performance in Plasma-Assisted Ammonia Synthesis," ACS Sustainable Chem. Eng. 2019, 9, 8621-8630. doi:10.1021/acssuschemeng.9b00406
P. Mehta, P. Barboun, D. B. Go, J. C. Hicks, and W. F. Schneider, "Catalysis enabled by plasma activation of strong chemical bonds: a review," ACS Energy Lett. 2019, 4, 1115-1133. ACS Editor's Choice: doi:10.1021/acsenergylett.9b00263
F. Herrera; G. Brown, P. Barboun, N. Turan, P. Mehta, W. F. Schneider, J. C. Hicks, and D. Go, "The Impact of Transition Metal Catalysts on Macroscopic Dielectric Barrier Discharge (DBD) Characteristics in an Ammonia Synthesis Plasma Catalysis Reactor," J. Phys. D: Applied Physics 2019, 52, 224002. doi:10.1088/1361-6463/ab0c58
H. Ma and W. F. Schneider, "Structure- and Temperature-Dependence of Pt-Catalyzed Ammonia Oxidation Rates and Selectivities," ACS Catal. 2019, 9, 2407 - 2414. doi:10.1021/acscatal.8b04251 article-on-request
A. J. Shih, I. Khuranaa, H. Li, J. González, A. Kumar, C. Paolucci, T. M. Lardinois, C. B. Jones, J. D. Albarracin Caballero, K. Kamasamudram, A. Yezerets, W. N. Delgass, J. T. Miller, A. Luz Villac, W. F. Schneider, R. Gounder, and F. H. Ribeiro, "Spectroscopic and Kinetic Responses of Cu-SSZ-13 to SO2 Exposure and Implications for NOx Selective Catalytic Reduction," Appl. Catal. A 2019, 575, 122-131. doi:10.1016/j.apcata.2019.01.024
H. Li, C. Paolucci, I. Khurana, L. N. Wilcox, F. Göltl, J. D. Albarracin-Caballero, A. J. Shih, F. H. Ribeiro, R. Gounder, and W. F. Schneider, "Consequences of Exchange-Site Heterogeneity and Dynamics on the UV-Visible Spectrum of Cu-Exchanged SSZ-13," Chem. Sci. 2019, 10, 2372-2384. doi:10.1039/C8SC05056B
S. Li, H. Li, R. Gounder, A. Debellis, I. B. Müller, S. Prasad, A. Moini, and W. F. Schneider, "First-Principles Comparison of Proton and Divalent Copper Cation Exchange Energy Landscapes in SSZ-13 Zeolite," J. Phys. Chem. C 2018 122, 41, 23564-23573. doi:10.1021/acs.jpcc.8b07213
S. Li, Y. Wang, T. Wu, and W. F. Schneider, "First-Principles Analysis of Site- and Condition-Dependent Fe Speciation in SSZ-13 and Implications for Catalyst Optimization," ACS Catal. 2018 8, 11, 10119-10130. doi:10.1021/acscatal.8b02107
C. T. Elmore, M. E. Seidler, H. O. Ford, L. C. Merrill, S. P. Upadhyay, W. F. Schneider, and J. L. Schaefer, "Ion Transport in Solvent-Free, Crosslinked, Single-Ion Conducting Polymer Electrolytes for Post-Lithium Ion Batteries," Batteries 2018, 4, 28. doi:10.3390/batteries4020028
J. G. Chen, R. M. Crooks, L. C. Seefeldt, K. L. Bren, R. M. Bullock, M. Y. Darensbourg, P. L. Holland, B. Hoffman, M. J. Janik, A. K. Jones, M. G. Kanatzidis, P. King, K. M. Lancaster, S. V. Lymar, P. Pfromm, W. F. Schneider, R. R. Schrock, "Beyond fossil fuel–driven nitrogen transformations," Science 2018, 360, 873. doi:10.1126/science.aar6611
Q. R. Sheridan, R. G. Mullen, T. Lee, E. J. Maginn, and W. F. Schneider, "Hybrid Computational Strategy for Predicting CO2 Solubilities in Reactive Ionic Liquids," J. Phys. Chem. C 2018 122, 14213-14221. doi:10.1021/acs.jpcc.8b02095 article-on-request
Q. R. Sheridan, W. F. Schneider, and E. J. Maginn. "Role of Molecular Modeling in the Development of CO2–Reactive Ionic Liquids," Chem. Rev. 2018, 118, 5242-5260. doi:10.1021/acs.chemrev.8b00017 article-on-request
P. Mehta, P. Barboun, F. A. Herrera, J. Kim, P. Rumbach, D. B. Go, J. C. Hicks, and W. F. Schneider. "Overcoming ammonia synthesis scaling relations with plasma-enabled catalysis," Nature Catalysis 2018, 1, 269-275. doi:10.1038/s41929-018-0045-1 readcube
W. F. Schneider and H. Guo, "Machine Learning," J. Phys. Chem. C 2018, 122, 1889. doi: 10.1021/acs.jpcc.8b00036
A. Bajpai, P. Mehta, K. Frey, A. M. Lehmer, and W. F. Schneider, "Benchmark First-Principles Calculations of Adsorbate Free Energies," ACS Catalysis 2018, 8, 1945-1954. doi:10.1021/acscatal.7b03438
H. Li, C. Paolucci, and W. F. Schneider, "Zeolite Adsorption Free Energies from Ab initio Potentials of Mean Force," J. Chem. Theory Comput. 2017, 14, 929-938. http://dx.doi.org/10.1021/acs.jctc.7b00716
C. Paolucci, I. Khurana, A. A. Parekh, S. Li, A. J. Shih, H. Li, J. R. Di Iorio, J. D. Albarracin-Caballero, A. Yezerets, J. T. Miller, W. N. Delgass, F. H. Ribeiro, W. F. Schneider, and R. Gounder, "Dynamic Multinuclear Sites Formed by Mobilized Copper Ions in NOx Selective Catalytic Reduction," Science 2017, 357(, 898-903. http://dx.doi.org/10.1126/science.aan5630
Y. Cui, Z. Li, Z. Zhao, V. J. Cybulskis, K. D. Sabnis, C. W. Han, V. Ortalan, W. F. Schneider, J. Greeley, W. N. Delgass, and F. H. Ribeiro, "Participation of interfacial hydroxyl groups in the water-gas shift reaction over Au/MgO catalysts," Catal. Sci. Technol. 2017, 7, 5257-66. http://dx.doi.org/10.1039/c7cy01020f
W. F. Schneider, "Viewpoint: New Physical Insights From a Computational Catalysis Perspective," J. Phys. Chem. C 2017, 121, 15491-15492. http://dx.doi.org/10.1021/acs.jpcc.7b06535 article-on-request
S. Li, Y. Zheng, F. Gao, J. Szanyi, and W. F. Schneider, "Experimental and Computational Interrogation of Fast SCR Mechanism and Active Sites on H-Form SSZ-13," ACS Catalysis 2017, 5087-5096. doi:10.1021/acscatal.7b01319 article-on-request
S. Draguta, O. Sharia, S. J. Yoon, M. Brennan, Y. Morozov, J. Manser, P. Kamat, W. F. Schneider, and M. Kuno, "Rationalizing the Light-Induced Phase Separation of Mixed Halide Organic-Inorganic Perovskites," Nature Comm. 2017, 8, 200. doi:10.1038/s41467-017-00284-2
P. Mehta, J. Greeley, W. N. Delgass, and W. F. Schneider, "Adsorption Energy Correlations at the Metal-Support Boundary," ACS Catalysis 2017, 7, 4707-4715. doi:10.1021/acscatal.7b00979 article-on-request
A. Bajpai, K. Frey, and W. F. Schneider, "Binary Approach to Ternary Cluster Expansions: NO-O-Vacancy System on Pt(111)," J. Phys. Chem. C 2017, 121, 7344-7354. doi:10.1021/acs.jpcc.7b00914
L. Nguyen, L. Liu, S. Assefa, C. Wolverton, W. F. Schneider, "Atomic-scale structural evolution of Rh (110) during catalysis," ACS Catalysis 2017, 7, 664-674. http://dx.doi.org/10.1021/acscatal.6b02006
Z.-Z. Zhao, Z. Li, Y. Cui, H. Zhu, W. F. Schneider, W. N. Delgass, F. H. Ribeiro, and J. Greeley, "Importance of metal-oxide interfaces in heterogeneous catalysis: a combined DFT, microkinetic, and experimental study of water-gas shift on Au/MgO," J. Catal. 2017, 345, 157-169. doi:10.1016/j.jcat.2016.11.008
Q. Sheridan, W. F. Schneider, and E. J. Maginn, "Anion Dependent Dynamics and Water Solubility Explained by Hydrogen Bonding Interactions in Mixtures of Water and Aprotic Heterocyclic Anion Ionic Liquids," J. Phys. Chem. B, 2016, 120, 12679-12686. doi:10.1021/acs.jpcb.6b10631
T. Anggara, C. Paolucci, and W. F. Schneider, "Periodic DFT Characterization of NOx Adsorption in Cu-Exchanged SSZ-13 Zeolite Catalysts," J. Phys. Chem. C, 2016, 120, 27934-27943. doi:10.1021/acs.jpcc.6b07972
C. Paolucci, J. R. Di Iorio, F. H. Ribeiro, R. Gounder, and W. F. Schneider, "Catalysis Science of NOx Selective Catalytic Reduction over Cu-SSZ-13 and Cu-SAPO-34," Adv. Catal., 2016, 59, 1-107. doi:10.1016/bs.acat.2016.10.002
C. A. Stephenson, W. A. O'Brien, M. W. Penninger, W. F. Schneider, M. Gillett-Kunnath, J. Zajicek, K. M. Yu, R. Kudrawiec, R. A. Stillwell, and M. A. Wistey, "Band Structure of Germanium Carbides for Direct Bandgap Silicon Photonics," Journal of Applied Physics, 2016, 120, 053102. doi:10.1063/1.4959255
S. J. Yoon, S. Draguta, J. Manser, O. Sharia, W. F. Schneider, M. Kuno, and P. Kamat, "Tracking Iodide and Bromide Ion Movement in Mixed Halide Lead Perovskite during Photoirradiation," ACS Energy Lett, 2016, 1. 290-296. doi:10.1021/acsenergylett.6b00158
C. Paolucci, A. A. Parekh, I. Khurana, J. R. Di Iorio, H. Li, J. D. Albarracin Caballero, A. J. Shih, T. Anggara, W. N. Delgass, J. T. Miller, F. H. Ribeiro, R. Gounder, and W. F. Schneider, "Catalysis in a Cage: Condition-Dependent Speciation and Dynamics of Exchanged Cu Cations in SSZ-13 Zeolites," J. Am. Chem. Soc., 2016, 138, 6028-6048. doi:10.1021/jacs.6b02651
C. A. Stephenson, W. A. O'Brien, M. Qi, M. Penninger, W. F. Schneider, and M. A. Wistey, "Band Anticrossing in Dilute Germanium Carbides Using Hybrid Density Functionals," J. Electronic Materials, 2016, 45, 2121-2126. doi:10.1007/s11664-015-4300-9
T. B. Lee, S. Oh, T. R. Gohndrone, O. Morales-Collazo, S. Seo, J. F. Brennecke, and W. F. Schneider, "\ce{CO2} Chemistry of Phenolate-Based Ionic Liquids," J. Phys. Chem. B (Bruce Garrett Festschrift), 2016, 120, 1509-1517. doi:10.1021/acs.jpcb.5b06934
Publications 2011-2015 << back to top
M. W. Penninger, C. H. Kim, L. T. Thomson, and W. F. Schneider, "DFT Analysis of NO Oxidation Intermediates on Undoped and Doped LaCoO3 Perovskite," J. Phys. Chem. C, 2015, 119, 20488-20494. doi:10.1021/acs.jpcc.5b06351
D. C. McCalman, L. Sun, Y. Zhang, J. F. Brennecke, E. J. Maginn, and W. F. Schneider, "Speciation, Conductivities, Diffusivities, and Electrochemical Reduction as a Function of Water Content in Mixtures of Hydrated Chromium Chloride/Choline Chloride," J. Phys. Chem. B, 2015, 119, 6018 - 6023. doi:10.1021/acs.jpcb.5b01986
Ch. Zaum, K. M. Meyer-auf-der-Heide, M. Mehlhorn, S. McDonough, W. F. Schneider, and K. Morgenstern, "Differences Between Thermal and Laser-Induced Diffusion," Phys. Rev. Lett., 2015, 114, 146104. doi:10.1103/PhysRevLett.114.146104
L. M. Herder, J. M. Bray and W. F. Schneider, "Comparison of Cluster Expansion Fitting Algorithms for Interactions at Surfaces," Surf. Sci., 2015, 640, 104-111. [doi:10.1016/j.susc.2015.02.017] (https://www.osti.gov/biblio/1244769)
J. M. Bray and W. F. Schneider, "First-Principles Analysis of Structure Sensitivity in NO Oxidation on Pt," ACS Catal., 2015, 5, 1087-1099. doi:10.1021/cs501783q
J. P. Clay, J. P. Greeley, F. H. Ribeiro, W. N. Delgass, and W. F. Schneider, "DFT Comparison of Intrinsic WGS Kinetics over Pd and Pt," J. Catal., 2014, 320, 106-117. doi:10.1016/j.jcat.2014.09.026
C. Paolucci, A. A. Verma, S. A. Bates, V. F. Kispersky, J. T. Miller, R. Gounder, W. N. Delgass, F. H. Ribeiro, and W. F. Schneider, "Isolation of the Cu Redox Steps in Standard SCR on Cu-SSZ-13," Angew. Chemie, 2014, 53, 11828-11833. doi:10.1002/ange.201407030
K. Frey, D. J. Schmidt, C. Wolverton and W. F. Schneider, "Implications of coverage-dependent O adsorption for catalytic NO oxidation on the late transition metals," Catal. Sci. Technol, 2014, 4, 4356-4365. doi:10.1039/c4cy00763h
G. Mozurkewich, L. D. Simoni, M. A. Stadtherr, and W. F. Schneider, "Performance Implications of Chemical Absorption for the Carbon-Dioxide-Cofluid Refrigeration Cycle," Int. J. Refrig., 2014, 46, 196-206. doi:10.1016/j.ijrefrig.2014.06.014
S. Seo, M. Quiroz-Guzman, M. A. DeSilva, T. B. Lee, Y. Huang, B. F. Goodrich, W. F. Schneider, and J. F. Brennecke, "Chemically Tunable Ionic Liquids with Aprotic Heterocyclic Anion (AHA) for CO2 Capture," J. Phys. Chem. B, 2014, 118, 5740-5751. doi:10.1021/jp502279w
T. R. Gohndrone, T. B. Lee, M. A. DaSilva, M. Quiroz-Guzman, W. F. Schneider, and J. F. Brennecke, "Competing Cation- and Anion-CO2 Reactions in Azolide Ionic Liquids," ChemSusChem, 2014, 7, 1970-1975. doi:10.1002/cssc.201400009
W. Chen, W. F. Schneider, and C. Wolverton, "Trends in Atomic Adsorption on Pt3M(111) Transition Metal Bimetallic Surface Overlayers," J. Phys. Chem. C, 2014, 118, 8342-8349. doi:10.1021/jp410607k
A. A. Verma, S. A. Bates, T. Anggara, C. Paolucci, A. A. Parekh, K. Kamasamudram, A. Yezerets, J. T. Miller, W. N. Delgass, W. F. Schneider, and F. H. Ribeiro, "NO oxidation: A Probe Reaction on Cu-SSZ-13," J. Catal., 2014, 312, 179-190. doi:10.1016/j.jcat.2014.01.017
S. A. Bates, A. A. Verma, C. Paolucci, A. A. Parekh, T. Anggara, A. Yezerets, W. F. Schneider, J. T. Miller, W. N. Delgass, and F. H. Ribeiro, "Identification of Active Cu Sites in Standard Selective Catalytic Reduction with Ammonia on Cu-SSZ-13," J. Catal., 2014, 312, 87-97. doi:10.1016/j.jcat.2014.01.004
J. M. Bray, I. Skavdahl, J.-S. McEwen, and W. F. Schneider, "First-principles Reaction Site Model for Coverage-Sensitive Surface Reactions: Pt(111)-O Temperature-Programmed Desorption," Surf. Sci. Lett., 2014, 622, L1-L6. doi:10.1016/j.susc.2013.12.005
M. Vogt, C. Wu, A. G. Oliver, C. J. Meyer, W. F. Schneider, and B. L. Ashfeld, "Site Specific Carboxylation of Abnormal Anionic N-Heterocyclic Dicarbenes with CO2," Chem. Comm., 2013, 49, 11527-11529. doi:10.1039/C3CC46555A
S. O. Choi, M. Penninger, C. H. Kim, W. F. Schneider, and L. T. Thompson, "Experimental and Computational Investigation of Effect of Sr on NO Oxidation and Oxygen Exchange for La1-xSrxCoO3 Perovskite Catalysts," ACS Catal., 2013, 3, 2719-2728. doi:10.1021/cs400522r
Z. Chen, C. H. Kim, L. T. Thompson, and W. F. Schneider, "LDA+U Evaluation of the Stability of Low-Index Facets of LaCoO3 perovskite," Surf. Sci., 2013, 619, 71-76. doi:10.1016/j.susc.2013.09.12
K. A. Maerzke, G. S. Goff, W. H. Runde, W. F. Schneider and E. J. Maginn, "Structure and Dynamics of Uranyl(VI) and Plutonyl(VI) Cations in Ionic Liquid/Water Mixtures via Molecular Dynamics Simulations," J. Phys. Chem. B, 2013, 117, 10852-10868. doi:10.1021/jp405473b
V. Pomogaev, S. P. Tiwari, N. Rai, G. S. Goff, W. Runde, W. F. Schneider and E. J. Maginn, "Development and Application of Effective Pairwise Potentials for UO2n+, NpO2n+, PuO2n+, and AmO2n+ (n = 1, 2) Ions with Water," Phys. Chem. Chem. Phys., 2013, 15, 15954-15963. doi:10.1039/C3CP52444B
J. M. Bray and W. F. Schneider, "Coverage-dependent adsorption at a low symmetry surface: DFT and statistical analysis of oxygen chemistry on kinked Pt(321)," Topics Catal., 2014, 57 89-105. doi:10.1007/s11244-013-0165-4
M. Vogt, J. E. Bennett, Y. Huang, C. Wu, W. F. Schneider, J. F. Brennecke, and B. L. Ashfeld, "Solid State Covalent Capture of CO2 Using N-Heterocyclic Carbenes," Chem.-Euro. J., 2013, 19, 11134-11138. doi:10.1002/chem.201302013
Z. Xu, N. D. McNamara, G. T. Neumann, W. F. Schneider, and J. C. Hicks, "Catalytic Hydrogenation of CO2 to Formic Acid with Silica-Tethered Iridium Catalysts," ChemCatChem, 2013, 5, 1769-1771. doi:10.1002/cctc.201200839
D. Shuai, D. C. McCalman, J. K. Choe, J. R. Shapley, W. F. Schneider, and C. J. Werth, "Structure sensitivity study of waterborne contaminant hydrogenation using shape- and size- controlled Pd nanoparticles," ACS Catalysis, 2013, 3, 453-463. doi:10.1021/cs300616d
J.-S. McEwen, J. M. Bray, C. Wu, and W. F. Schneider, "How Low Can You Go: Minimum Energy Pathways for O2 Dissociation on Pt(111)," Phys. Chem. Chem. Phys., 2012, 14, 16677-16685. doi:10.1039/C2CP42225E
C. Wu, T. P. Sentfle, and W. F. Schneider, "First-Principles-Guided Design of Ionic Liquids for CO2 Capture," Phys. Chem. Chem. Phys., 2012, 14, 13163-13170. doi:10.1016/10.1039/c2cp41769c
W. F. Schneider, "Configurational Control in Catalysis: Perspective on Hess et al., One-Dimensional Confinement in Heterogeneous Catalysis: Trapped Oxygen on RuO2(110) Model Catalysts," Surf. Sci., 2012, 606, 1351-1352. doi:10.1016/j.susc.2012.05.012
P. Deshlahra, J. Conway, E. E. Wolf, and W. F. Schneider, "Influence of Dipole-Dipole Interactions on Coverage-Dependent Adsorption: CO and NO on Pt(111)," Langmuir, 2012, 28 8408-8417. doi:10.1002/la300975s
W. Chen, P. Dalach, W. F. Schneider, and C. Wolverton, "Interplay Between Subsurface Ordering, Surface Segregation, and Adsorption on Pt-Ti(111) Near-Surface Alloys," Langmuir, 2012, 28 4683-4693. doi:10.1021/la204843q
D. C. McCalman, K. H. Kelley, C. J. Werth, J. R. Shapley, and W. F. Schneider, "Aqueous N2 Reduction with H2 over Pd-Based Catalysts: Mechanistic Insights from Experiment and Simulation," Topics Catal., 2012, 55 300-312. doi:10.1007/s11244-012-9795-1
H. Wang and W. F. Schneider, "Comparative chemistries of CO and NO oxidation over RuO2(110): Insights from first principles thermodynamics and kinetics," Mol. Sim., 2012, 38 615-630. doi:10.1080/08927022.2012.671521
B. P. Chaplin, M. Reinhard, W. F. Schneider, C. Schuth, J. R. Shapley, T. J. Strathmann, and C. J. Werth, "Critical Review of Pd-Based Catalysts for Treatment of Priority Contaminants in Water," Environ. Sci. Technol., 2012, 46 3655-3670. doi:10.1021/es204087q
J.-S. McEwen, T. Anggara, W. F. Schneider, V. F. Kispersky, J. T. Miller, W. N. Delgass, and F. H. Ribeiro, "Integrated operando X-ray absorption and DFT characterization of Cu-SSZ-13 exchange sites during the selective catalytic reduction of NOx with NH3," Catal. Today, 2012, 184, 129-144. doi:10.1016/j.cattod.2011.11.037
D. J. Schmidt, W. Chen, C. Wolverton, and W. F. Schneider, "Performance of Cluster Expansions of Coverage-Dependent Adsorption of Atomic Oxygen on Pt(111)," J. Chem. Theory Comp., 2012, 8 264-273. doi:10.1002/ct200659c
C. Wu, D. J. Schmidt, C. Wolverton, and W. F. Schneider, "Accurate coverage-dependence incorporated into first-principles kinetic models: Catalytic NO oxidation on Pt(111)," J. Catal., 2012, 286, 88-94. doi:10.1016/j.cat.2011.10.020
P. Deshlahra, W. F. Schneider, G. H. Bernstein, and E. E. Wolf, "Direct Control of Electron Transfer to the Surface-CO Bond on a Pt/TiO2 Catalytic Diode," J. Am. Chem. Soc., 2011, 133, 16459-16467. doi:10.1021/ja2020789
W. Chen, D. Schmidt, W. F. Schneider and C. Wolverton, "Ordering and oxygen adsorption in Au-Pt/Pt(111) surface alloys," J. Phys. Chem. C, 2011, 115, 17915-17924.doi:10.1021/jp205995j
J. M. Bray and W. F. Schneider, "Potential Energy Surfaces for Oxygen Adsorption, Dissociation, and Diffusion at the Pt(321) Surface," Langmuir, 2011, 27 8177-8186. doi:10.1002/la201208
V. A. Ranea, T. J. Strathmann, J. R. Shapley, and W. F. Schneider, "DFT Comparison of N-Nitrosodimethylamine (NDMA) Decomposition Pathways Over Ni and Pd," ChemCatChem, 2011, 3, 898-903. doi:10.1002/cctc.201000398
W. Chen, D. Schmidt, W. F. Schneider, and C. Wolverton, "First-Principles Cluster Expansion Study of Missing-Row Reconstructions of fcc(110) Surfaces," Phys. Rev. B, 2011, 83, 075415. doi:10.1103/PhysRevB.83.075415
H. Wang and W. F. Schneider, "Adsorption and Reactions of NOx on RuO2(110)," Catal. Today, 2011, 165, 49-55. doi:10.1016/j.cattod.2010.11.046
B. E. Gurkan, B. F. Goodrich, E. M. Mindrup, L. E. Ficke, M. Massel, S. Seo, T. P. Senftle, H. Wu, M. F. Glaser, J. K. Shah, J. F. Brennecke, E. J. Maginn, and W. F. Schneider, "Molecular Design of High Capacity, Low Viscosity, Chemically Tunable Ionic Liquids for CO2 Capture," J. Phys. Chem. Lett., 2010, 1, 3494-3499. doi:10.1021/jz101533k. Science Editors' Choice article 17 December 2010
R. B. Getman and W. F. Schneider, "DFT-Based Coverage-Dependent Model of Pt-Catalyzed NO Oxidation," ChemCatChem, 2010, 2, 1450-1460. doi:10.1002/cctc.201000146.
H. Wang and W. F. Schneider, "Nature and role of surface carbonates and bicarbonates in CO oxidation over RuO2," Phys. Chem. Chem. Phys., 2010, 12, 6367-6374. doi:10.1039/c001683g.
E. M. Mindrup and W. F. Schneider, "Computational Comparison of Substituted Amine Reactions with CO2," ChemSusChem, 2010, 3, 931-938. doi:10.1002/cssc.201000060
B. E. Gurkan, J. C. de al Fuente, E. M. Mindrup, L. E. Ficke, B. F. Goodrich, E. A. Price, W. F. Schneider, and J. F. Brennecke, "Equimolar CO2 Absorption by Anion-Functionalized Ionic Liquids," J. Am. Chem. Soc., 2010, 132, 2116-2117. doi:10.1021/ja909305t.
D. Shuai, B. P. Chaplin, J. R. Shapley, N. P. Menendez, D. C. McCalman, W. F. Schneider, C. J. Werth, "Azo Dye Enhancement of Oxyanion and Diatrizoate Reduction Kinetics on Pd-Based Catalysts," Environ. Sci. Technol., 2010, 44, 1773-1779. doi:10.1021/es9029842
H. Fox, K. E. Newman, W. F. Schneider, and S. A. Corcelli, "Bulk and Surface Properties of Rutile TiO2 from Self-Consistent-Charge Density Functional Tight Binding (SCC-DFTB)," J. Chem. Theory Comp., 2010, 6, 499-507. doi:10.1021/ct900665a
L. Xiao and W. F. Schneider, "Influence of α-Alumina Supports on Oxygen Binding to Pd, Ag, Pt, and Au," Chem. Phys. Lett., 2010, 484, 231-236. doi:10.1016/j.cplett.2009.11.019
H. Wang and W. F. Schneider, "Molecular Origins of Surface Poisoning during CO Oxidation over RuO2(110)," Surf. Sci., 2009, 603, L91-L94. doi:10.1016/j.susc.2009.06.013
H. Wang, D. Schmidt, and W. F. Schneider, "Intermediates and Spectators in O2 Dissociation at the RuO2(110) Surface," J. Phys. Chem. C, 2009, 113, 15266-15273. doi:10.1021/jp903304f
P. Deshlahra, E. E. Wolf, and W. F. Schneider, "A Periodic DFT Study of CO Chemisorption on Pt(111) in the Presence of Uniform Electric Fields," J. Phys. Chem. A, 2009, 113, 4125-4133. doi:10.1021/jp810518x
A. A. Phatak, W. N. Delgass, F. H. Ribeiro, and W. F. Schneider, "DFT Comparison of Water Dissociation Steps on Cu, Au, Ni, Pd and Pt," J. Phys. Chem. C, 2009, 113, 7269-7276. doi:10.1021/jp810216b
R. B. Getman, W. F. Schneider, A. D. Smeltz, W. N. Delgass, and F. H. Ribeiro, "Oxygen-coverage effects on molecular dissociations at a Pt metal surface," Phys. Rev. Lett., 2009, 102, 076101. doi:10.1103/PhysRevLett.102.076101
V. A. Ranea, W. F. Schneider, and I. Carmichael, "A DFT Investigation of Intermediate Steps in the Hydrolysis of α-Al2O3(0001)," J. Phys. Chem. C, 2009,112, 2149-2158. doi:10.1021/jp8069892
L. Xiao and W. F. Schneider, "Surface Environmental Effects on Metal Atom Adsorption on α-Alumina," Surf. Sci., 2008, 602, 3445-3453. doi:10.1016/j.susc.2008.08.017
Y. Xu, R. B. Getman, W. A. Shelton, and W. F. Schneider, "A First-Principles Investigation of the Effect of Pt Cluster Size on CO and NO Oxidation Intermediates and Energetics," Phys. Chem. Chem. Phys., 2008, 10, 6009-6018. doi:10.1039/b805179h
R. B. Getman, Y. Xu, and W. F. Schneider, "Thermodynamics of Environment Dependent Oxygen Adsorption on Pt(111)," J. Phys. Chem. C (Centennial Feature Article), 2008, 112, 9559-9572. doi:10.1021/jp800905a
T. Yamanka, M. Kawasaki, M. D. Hurley, T. J. Wallington, L. Xiao, and W. F. Schneider, "Experimental and Computational Investigation of Gas Phase Reaction of Chlorine with n-Propanol: Observation of Chloropropanol Conformational Isomerization at Room Temperature," J. Phys. Chem. A, 2008, 112, 2773-2781. doi:10.1021/jp711882c
A. D. Smeltz, R. B. Getman, W. F. Schneider, and F. H. Ribeiro, "Coupled Theoretical and Experimental Analysis of Surface Coverage Effects in Pt-Catalyzed NO and O2 Reaction to NO2 on Pt(111)," Catal. Today, 2008, 136, 84-92. doi:10.1016/j.cattod.2007.12.139
V. A. Ranea, W. F. Schneider, and I. Carmichael, "DFT Characterization of Coverage Dependent Molecular Water Adsorption Modes on α-Al2O3(0001)," Surf. Sci. 2008, 602, 268-275. doi:10.1016/j.susc.2007.10.029
T. Yamanaka, M. Kawasaki, M.D. Hurley, T.J. Wallington, W. F. Schneider, and J. Bruce, "Kinetics and Mechanism of the Gas Phase Reaction of Chlorine Atoms with i-Propanol," Phys. Chem. Chem. Phys., 2007, 9, 4211 - 4217. doi:10.1039/b702933k
J. P. Larentzos, W. F. Schneider, and E. J. Maginn, "A tranferable force field for water adsorption in cation exchanged titanosilicates," Ind. Eng. Chem. Res., 2007, 46, 5754-5765. doi:10.1021/ie070276g
H. Wang and W. F. Schneider, "The Effects of Coverage on the Structures, Energetics, and Electronics of Oxygen Adsorption on RuO2(110) ," J. Chem. Phys., 2007, 127, 064706. doi:10.1063/1.2752501
R. B. Getman and W. F. Schneider, "DFT-Based Characterization of the Multiple Adsorption Modes of Nitrogen Oxides on Pt(111),"J. Phys. Chem. C , 2007, 111, 389-397. doi:10.1021/jp064841p
Y. Xu, W. A. Shelton, and W. F. Schneider, "Thermodynamic equilibrium compositions, structures, and reaction energies of PtxOy (x = 1–3) clusters predicted from first principles," J. Phys. Chem. B, 2006, 110, 16591-16599. doi: 10.1021/jp0614446
P. J. Schmitz, R. J. Kudla, A. R. Drews, A. E. Chen, C. K. Lowe-Ma, R. W. McCabe, W. F. Schneider, and C. T. Goralski, Jr., "NO Oxidation over Supported Pt: Impact of Precursor, Support, Loading, and Processing Conditions Evaluated via High Throughput Experimentation," Appl. Catal. B, 2006, 67, 246-256. doi:10.1016/j.apcatb.2006.05.012
Y. Xu, W. A. Shelton, and W. F. Schneider, "Effect of Particle Size on the Oxidizability of Platinum Clusters," J. Phys. Chem. A, 2006, 110, 5839-5846. doi: 10.1021/jp0547111
X. Chen, J. Schwank, J. Li, W. F. Schneider, C. T. Goralski, Jr., and P. J. Schmitz, "Thermal Decomposition of Dispersed and Bulk-like NOx Species in Model NOx Trap Materials," Appl. Catal. B, 2005, 61, 189-200. doi:10.1016/j.apcatb.2005.05.002
X. Chen, J. Schwank, J. Li, W. F. Schneider, C. T. Goralski, Jr., and P. J. Schmitz, "A thermogravimetric determination of dispersed and bulk-like barium species supported on α-alumina," J. Mat. Chem., 2005, 15, 366-368. doi: 10.1039/b416144k
S. Ovesson, B. I. Lundqvist, W. F. Schneider, and A. Bogicevic, "NO oxidation properties of Pt(111) revealed by ab initio kinetic simulations," Phys. Rev. B, 2005, 71, 115406. doi:10.1103/PhysRevB.71.115406
X. Lin, W. F. Schneider, and B. L. Trout, "Chemistry of Sulfur Oxides on Transition Metals ( III): Oxidation of SO2 and Self-Diffusion of O, SO2, and SO3 on Pt(111)," J. Phys. Chem. B, 2004, 108, 13329–13340. doi: 10.1021/jp048507+
D. Sun, J. B. Adams, D. Sengupta, and W. F. Schneider, "The Molecular Origins of Selectivity in the Thermal Reduction of NOx by NH3," J. Phys. Chem. A, 2004, 108, 9365–9374. doi: 10.1021/jp049079a
W. F. Schneider, "Qualitative Differences in the Adsorption Chemistry of Acidic (CO2, SOx) and Amphiphilic (NOx) Species on the Alkaline Earth Oxides," J. Phys. Chem. B, 2004, 108, 273–282. doi: 10.1021/jp036323+
X. Lin, W. F. Schneider, K. C. Hass, and B. L. Trout, "Chemistry of Sulfur Oxides on Transition Metals (II): Thermodynamics of Sulfur Oxides on Pt(111)," J. Phys. Chem. B, 2004, 108, 250–264. doi: 10.1021/jp035306h
M. Miletic, J. L. Gland, K. C. Hass, and W. F. Schneider, "Characterization of Adsorption Trends of NO2, Nitrite, and Nitrate Adsorption on MgO Terraces," Surf. Sci., 2003, 546, 75–86. doi: 10.1016/j.susc.2003.09.040
M. D. Hurley, W. F. Schneider, T. J. Wallington, D. J. Mann, J. D. DeSain, and C. A. Taatjes, "Kinetics of Elementary Reactions in the Chain Chlorination of Cyclopropane," J. Phys. Chem. A, 2003, 107, 2003–2010. doi: 10.1021/jp022121m
M. P. Sulbaek Andersen, M. D. Hurley, J. C. Ball, W. F. Schneider, T. J. Wallington, and O. J. Nielsen, "CF3CHONOCF3: Synthesis, IR Spectrum, and New OH Radical Source for Kinetic and Mechanistic Studies," Int. J. Chem. Kinet., 2003, 35, 159–165. doi: 10.1002/kin.10116
M. Miletic, J. L. Gland, K. C. Hass, and W. F. Schneider, "First-Principles Characterization of NOx Adsorption on MgO," J. Phys. Chem. B, 2003, 107, 157–163. doi: 10.1021/jp025996+
X. Lin, W. F. Schneider, K. C. Hass, and B. L. Trout, "Chemistry of Sulfur Oxides on Transition Metals (I): Configurations, Energetics, Orbital Analyses and Surface Coverage Effects of SO2 on Pt(111)," J. Phys. Chem. B, 2002, 106, 12575–12583. doi: 10.1021/jp026128f
W. F. Schneider, K. C. Hass, M. Miletic, and J. L. Gland, "Dramatic Cooperative Effects in Adsorption of NOx On MgO(001)," J. Phys. Chem. B, 2002, 106, 7405–7413. doi: 10.1021/jp0257496
C. Arsene, I. Barnes, K. H. Becker, W. F. Schneider, T. J. Wallington, N. Mihalopoulos, and I. V. Patroescu-Klotz, "Formation of Methane Sulfinic Acid in the Gas Phase OH-Radical Initiated Oxidation of Dimethyl Sulfoxide," Environ. Sci. Technol., 2002, 36, 5155–5163. doi: 10.1021/es020035u
C. T. Goralski, Jr. and W. F. Schneider, "Analysis of the Thermodynamic Feasibility of NOx Decomposition Catalysis to Meet Next Generation Vehicle NOx Emissions Standards," Appl. Catal. B, 2002, 37, 263–267. doi:10.1016/S0926-3373(01)00317-4
G. Mozurkewich, M. L. Greenfield, W. F. Schneider, D. C. Zietlow, and J. J. Meyer, "Simulated Performance and Cofluid Dependence of a CO2-Cofluid Refrigeration Cycle with Wet Compression," Int. J. Refrig., 2002, 25, 1123–1136. doi:10.1016/S0140-7007(02)00004-X
X. Lin, N. J. Ramer, A. M. Rappe, K. C. Hass, W. F. Schneider, and B. L. Trout, "Effect of Particle Size on the Adsorption of O and S Atoms on Pt: a Density Functional Theory Study," J. Phys. Chem. B, 2001, 105, 7739–7747. doi: 10.1021/jp011133p
W. F. Schneider, J. Li, and K. C. Hass, "Combined Computational and Experimental Investigation of SOx Adsorption on MgO," J. Phys. Chem. B, 2001, 105, 6972–6979. doi: 10.1021/jp010747r
D. Sengupta, J. B. Adams, W. F. Schneider, and K. C. Hass, "Theoretical Analysis of N2O to N2 Conversion During the Catalytic Decomposition of NO by Cu-Zeolites," Catal. Lett., 2001, 74, 193–199.	doi: 10.1023/A:1016641319587
B. R. Goodman, K. C. Hass, W. F. Schneider, and J. B. Adams, "Statistical Analysis of Al Distributions and Metal Ion Pairing Probabilities in Zeolites," Catal. Lett., 2000, 68, 85-93. doi: 10.1023/A:1019066916541
K. C. Hass, W. F. Schneider, A. Curioni, and W. Andreoni, "First-Principles Molecular Dynamics Simulations of H2O on α-Al2O3(0001)," J. Phys. Chem. B 2000, 104, 5527-5540. doi: 10.1021/jp000040p
G. Mozurkewich, R. D. Roberts, M. L. Greenfield, W. F. Schneider, J. J. Meyer, D. C. Zietlow, and L. I. Stiel, "Cycle-model Assessment of Working Fluids for a Low-Pressure CO2 Climate Control System," Society of Automotive Engineers Technical Paper, 2000, doi:10.4271/2000-01-0578.
T. J. Wallington, W. F. Schneider, W. Nelsen, I. Barnes, K. H. Becker, J. Sehested, O. J. Nielsen, "Stability and IR Spectra of Mono-, Di-, and Trichloromethanol," Chem. Phys. Lett., 2000, 322, 97-102. doi:10.1016/S0009-2614(00)00384-5
B. R. Goodman, K. C. Hass, W. F. Schneider, and J. B. Adams, "Cluster Model Studies of Oxygen-Bridged Cu Pairs in Cu-ZSM-5 Catalysts," J. Phys. Chem. B, 1999, 103, 10452-10460. doi:10.1016/10.1021/jp9922110
D. Sengupta, W. F. Schneider, K. C. Hass, and J. B. Adams, "CO Oxidation Catalyzed by Cu-Exchanged Zeolites: A Density Functional Theory Study," Catal. Lett., 1999, 61, 179-186. doi: 10.1023/A:1019053729010
K. Bolton, S. B. M. Bosio, W. L. Hase, W. F. Schneider, and K. C. Hass, "Comparison of Explicit and United Atom Models for Alkane Chains Physisorbed on α-Al2O3 (0001)," J. Phys. Chem. B 1999, 103, 3885-3895. doi:10.1021/jp9840026
K. C. Hass and W. F. Schneider, "Density Functional Studies of Adsorbates in Cu-Exchanged Zeolites: Model Comparisons and SOx Binding," Phys. Chem. Chem. Phys., 1999, 1, 639-648. doi:10.1039/a807235c
M. L. Greenfield, G. Mozurkewich, W. F. Schneider, G. D. Bramos, and D. C. Zietlow, "Thermodynamic and Cycle Models for a Low-Pressure CO2 Refrigeration Cycle," Society of Automotive Engineers Technical Paper, 1999, 01-0869. doi:10.4271/1999-01-0869.
J. Sehested, L. K. Christensen, O. J. Nielsen, M. Bilde, T. J. Wallington, W. F. Schneider, J. J. Orlando, and G. S. Tyndall, "Atmospheric Chemistry of Acetone: Kinetic Study of the CH3C(O)CH2O2 + NO/NO2 Reactions and Decomposition of CH3C(O)CH2O2NO2," Int. J. Chem. Kinet. 1998, 30, 475-487. doi:10.1002/(SICI)1097-4601.
W. F. Schneider, K. C. Hass, R. Ramprasad, and J. B. Adams, "Density Functional Theory Study of Transformations of Nitrogen Oxides Catalyzed by Cu-Exchanged Zeolites," J. Phys. Chem. B 1998, 102, 3692-3705. doi:10.1021/jp9734383
K. C. Hass, W. F. Schneider, A. Curioni, and W. Andreoni, "Surface Chemistry of Water on Alumina: Reaction Dynamics from First Principles," Science, 1998, 282, 265-268. doi: 10.1126/science.282.5387.265
B. R. Goodman, W. F. Schneider, K. C. Hass, and J. B. Adams, "Theoretical Analysis of Oxygen Bridged Cu Pairs in Cu-Exchanged Zeolites," Catal. Lett., 1998, 56, 183-188.	doi: 10.1023/A:1019029700959
W. F. Schneider, T. J. Wallington, J. R. Barker, and E. A. Stahlberg, "CF3CFHO• Radical: Decomposition vs. Reaction with O2," Ber. Bunsenges. Phys. Chem. 1998, 102, 1850-1856. doi:10.1002/bbpc.19981021215
J. Platz, O. J. Nielsen, J. Sehested, T. J. Wallington, J. C. Ball, M. D. Hurley, A. M. Straccia, W. F. Schneider, and J. Sehested, "Atmospheric Chemistry of the Phenoxy Radical, C6H5O(•): UV Spectrum and Kinetics of Its Reaction with NO, NO2, and O2," J. Phys. Chem. A, 1998, 101, 7964-7974. doi: 10.1021/jp982221l
R. Ramprasad, W. F. Schneider, K. C. Hass, and J. B. Adams, "A Theoretical Study of CO and NO Vibrational Frequencies in Cu-Water Clusters and Implications for Cu-exchanged Zeolites," J. Phys. Chem. B, 1997, 101, 1940–1949. doi: 10.1021/jp961472w
K. C. Hass, W. F. Schneider, C. M. Estévez, and R. D. Bach, "Density Functional Theory Description of Excited-State Intramolecular Proton Transfer," Chem. Phys. Lett., 1996, 263, 414–422. doi: 10.1016/S0009-2614(96)01235-3
R. Ramprasad, K. C. Hass, W. F. Schneider, and J. B. Adams, "Cu-dinitrosyl Species in Zeolites: A Density Functional Molecular Cluster Study," J. Phys. Chem. B 1997, 101, 6903–6913. doi: 10.1021/jp962706e
P. de Sainte Claire, K. C. Hass, W. F. Schneider, and W. L. Hase, "Simulations of Hydrocarbon Adsorption and Penetration on an Aluminum Oxide Surface," J. Chem. Phys. 1997, 106, 7331–7342. doi: 10.1063/1.473694
C. M. Estévez, R. D. Bach, K. C. Hass, and W. F. Schneider, "Novel Structural Modifications Associated with the Highly Efficient Internal Conversion of 2-(2´-hydroxyphenyl)benzotriazole Ultraviolet Stabilizers, " J. Am. Chem. Soc. 1997, 119, 5445–5446. doi: 10.1021/ja964056y
W. F. Schneider, K. C. Hass, R. Ramprasad, and J. B. Adams, "First-Principles Analysis of Elementary Steps in the Catalytic Decomposition of NO by Cu-Exchanged Zeolites," J. Phys. Chem. B 1997, 101, 4353–4357.doi: 10.1021/jp970213j
T. J. Wallington, W. F. Schneider, J. Sehested, M. Bilde, J. Platz, O. J. Nielsen, and M. J. Molina, "Atmospheric Chemistry of HFE-7100 (C4F9OCH3): Kinetics of Its Reaction with OH Radicals, UV Spectra and Kinetic Data for C4F9OCH2• and C4F9OCH2O2• Radicals, and the Atmospheric Fate of C4F9OCH2O• Radicals," J. Phys. Chem. A 1997, 101, 8264-8274. doi: 10.1021/jp971353w
T. J. Wallington, M. D. Hurley, and W. F. Schneider, "Atmospheric Chemistry of CH3Cl: Mechanistic Study of the Reaction of CH2ClO2 Radicals with HO2," Chem. Phys. Lett., 1996, 251, 164-173. doi: 10.1016/0009-2614(96)00080-2
W. F. Schneider, K. C. Hass, R. Ramprasad, and J. B. Adams, "Cluster Models of Cu Binding and CO and NO Adsorption in Cu-Exchanged Zeolites," J. Phys. Chem., 1996, 100, 6032-6046. doi: 10.1021/jp9521924
W. F. Schneider, T. J. Wallington, and R. E. Huie, "Energetics and Mechanism of Decomposition of CF3OH," J. Phys. Chem., 1996, 100, 6097-6103. doi: 10.1021/jp952703m
K. C. Hass and W. F. Schneider, "Reliability of Small Cluster Models for Cu-Exchanged Zeolites," J. Phys. Chem., 1996, 100, 9292¬-9301.doi: 10.1021/jp952702u
G. Rossi and W. F. Schneider, "Accounting for Electron-Electron and Electron-Lattice Effects in Conjugated Chains and Rings," J. Chem. Phys., 1996, 104, 9511-9527. doi: 10.1063/1.471694
V. Catoire, R. Lescleaux, T. J. Wallington, and W. F. Schneider, "Kinetics and Mechanism of the Self-Reactions of CCl3O2 and CHCl2O2 and of their Reactions with HO2," J. Phys. Chem., 1996, 100, 14356-14371. doi:10.1021/jp960572z
T. J. Wallington, J. C. Ball, A. M. Straccia, M. D. Hurley, E. W. Kaiser, M. Dill, W. F. Schneider, and M. Bilde, "Kinetics and Mechanism of the Reaction of Cl Atoms with CH2CO (Ketene)," Inter. J. Chem. Kinet., 1996, 28, 627-635.doi: 10.1002/(SICI)1097-4601(1996)28:8<627::AID-KIN8>3.0.CO;2-X
K. C. Hass and W. F. Schneider, "Density Functional Theory Studies of Cu-Zeolite de-NOx Catalysts," J. Comput. Aided Mat. Design, 1996, 3, 210-212. doi: 10.1007/BF01185655
W. F. Schneider, B. I. Nance, and T. J. Wallington, " Bond Strength Trends in Halogenated Methanols: Evidence for Negative Hyperconjugation?," J. Am. Chem. Soc., 1995, 117, 478-485. doi: 10.1021/ja00106a055
W. F. Schneider, M. M. Maricq, and J. S. Francisco, "The Vibrational Spectrum of FC(O)O Radical: A Challenging Case for Single-Reference Electron Correlation Methods," J. Chem. Phys., 1995, 103, 6601-6607. doi: 10.1063/1.470389
W. F. Schneider, T. J. Wallington, K. Minschwaner, and E. A. Stahlberg, "Atmospheric Chemistry of CF3OH: Is Photolysis Important?," Environ. Sci. Technol., 1995, 28, 247-250. doi: 10.1021/es00001a031
T. J. Wallington, W. F. Schneider, J. J. Szente, M. M. Maricq, O. J. Nielsen, and J. Sehested, "Atmospheric Chemistry of FNO and FNO2: Reactions of FNO with O3, O(3P), HO2, and HCl and the Reaction of FNO2 with O3," J. Phys. Chem., 1995, 99, 984-989. doi: 10.1021/j100003a022
T. J. Wallington, W. F. Schneider, J. Sehested, and O. J. Nielsen, "Hydrofluorocarbons and Stratospheric Ozone," J. Chem. Soc., Faraday Discussions, 1995, 100, 55-64. doi:10.1039/FD9950000055
T. J. Wallington, W. F. Schneider, T. E. Møgelberg, O. J. Nielsen, and J. Sehested, "Atmospheric Chemistry of FCOx Radicals: Kinetic and Mechanistic Study of FC(O)2 + NO2 Reaction," Inter. J. Chem. Kinet., 1995, 27, 391-402. doi: 10.1002/kin.550270410
W. F. Schneider and T. J. Wallington, "Comment on Ab Initio Study of the Abstraction Reactions of CF3O," J. Phys. Chem., 1995, 99, 4353. doi: 10.1021/j100012a069
T. J. Wallington, M. D. Hurley, W. F. Schneider, J. Sehested, and O. J. Nielsen, "Mechanistic Study of the Gas Phase Reaction of CH2FO2 Radicals with HO2," Chem. Phys. Lett., 1994, 218, 34-42. doi: 10.1016/0009-2614(93)E1466-T
W. F. Schneider, "Implementation Strategies for the Ford Waste Minimization Program," Society of Automotive Engineers Technical Paper, 1994, 940543. doi: 10.4271/940543
T. J. Wallington and W. F. Schneider, "The Stratospheric Fate of CF3OH," Environ. Sci. Technol., 1994, 28, 1198-2000. doi: 10.1021/es00055a036
W. F. Schneider, T. J. Wallington, M. D. Hurley, J. Sehested, and O. J. Nielsen, "Reply to Comment on the Thermochemistry of CF3O Radical and CF3OH," J. Phys. Chem., 1994, 98, 2217-2218. doi: 10.1021/j100059a043
T. J. Wallington, W. F. Schneider, D. R. Worsnop, O. J. Nielsen, J. Sehested, W. Debruyn, and J. A. Shorter, "Atmospheric Chemistry and Environmental Impact of CFC Replacements: HFCs and HCFCs," Environ. Sci. Technol., 1994, 28, 320A-326A. doi: 10.1021/es00056a714
W. F. Schneider and T. J. Wallington, "The Thermochemistry of COF2 and Related Compounds," J. Phys. Chem., 1994, 98, 7448-7451. doi: 10.1021/j100082a009
T. E. Møgelberg, O. J. Nielsen, J. Sehested, T. J. Wallington, M. D. Hurley, and W. F. Schneider, "Atmospheric Chemistry of HFC-134a: Kinetic and Mechanistic Study of the CF3CFHO2 + NO2 Reaction," Chem. Phys. Lett., 1994, 225, 375-380. doi: 10.1016/0009-2614(94)87097-7
T. J. Wallington, W. F. Schneider, O. J. Nielsen, and J. Sehested, "Comment on the Atmospheric Chemistry of FNO," J. Phys. Chem., 1994, 98, 10373. doi: 10.1021/j100091a062
G. S. Tyndall, T. J. Wallington, M. D. Hurley, and W. F. Schneider, "Rate Coefficient for the Reaction of CH2OH Radicals with Cl2 and Infrared Spectra of Chloromethanol and Dichloromethanol," J. Phys. Chem. 1993, 97, 1576-1582. doi: 10.1021/j100110a019
T. J. Wallington, M. D. Hurley, W. F. Schneider, J. Sehested, and O. J. Nielsen, "Atmospheric Chemistry of CF3O Radicals: Reaction with H2O," J. Phys. Chem. 1993, 97, 7606-7611. doi:10.1021/j100131a033
T. J. Wallington, M. D. Hurley, and W. F. Schneider, "Kinetic Study of the Reaction CF3O + O3 → CF3O2 +O2," Chem. Phys. Lett., 1993, 213, 442-448. doi:10.1016/0009-2614(93)89140-D
W. F. Schneider and T. J. Wallington, "Ab initio Investigation of the Heats of Formation of Several Trifluoromethyl Compounds," J. Phys. Chem., 1993, 97, 12783-12788. doi:10.1021/j100151a025
R. A. Potts, D. L. Gaj, W. F. Schneider, N. S. Dean, J. W. Kampf, and J. P. Oliver, "Alcoholysis of Nitriles in Gold( III) Complexes: The Structure of EtC(OEt)NH2]+[AuCl4]–," Polyhedron 1991, 10, 1631–1637. doi:10.1016/S0277-5387(00)83774-2
W. F. Schneider, C. K. Narula, H. Nöth, and B. E. Bursten, "Structure and Bonding Trends in Two and Three Coordinate Boron Cations," Inorg. Chem. 1991, 30, 3919–3927. doi:10.1021/ic00020a027
B. E. Bursten and W. F. Schneider, "The Electronic Structure of Asymmetric Metal Metal Bonds: The d2-d6 Complexes X4Mo=Mo(PH3)4 (X = OH, Cl)," Inorg. Chem. 1989, 28, 3292–3296. doi:10.1021/ic00316a009
Book Chapters and Proceedings << back to top
S. Li and W. F. Schneider, "Supercell Models of Brønsted and Lewis Sites in Zeolites," in Handbook of Materials Modeling, W. Andreoni, and S. Yip, eds., Springer, Cham, 2018.
D. C. McCalman and W. F. Schneider, "First-principles Approaches to Understanding Heterogeneous Catalysis," in Heterogeneous Catalysis at Nanoscale for Energy Applications, F. Tao, W. F. Schneider and P. V. Kamat, eds., Wiley, 2015.
J. M. Bray and W. F. Schneider, "First-principles Thermodynamic Models in Heterogeneous Catalysis," in Computational Catalysis, A. Asthagiri and M. Janik, eds., RSC Publishing, 2013.
E. Mindrup and W. F. Schneider, "Chemically Complexing Ionic Liquids for Post-Combustion CO2 Capture," Clearwater Clean Coal Conference, Clearwater, Florida, 2010. reprint
E. Mindrup and W. F. Schneider, "Computational Comparison of Tethering Strategies for Amine Functionalized Ionic Liquids," in ACS Symposium Series, K. Seddon, R. Rogers, and N. Plechkova, eds., American Chemical Society, Washington, D.C., 2010.
Participants of the National Science Foundation Workshop on Sustainability and Chemistry, "Chemistry for a Sustainable Future," Viewpoint Article, Env. Sci. Technol. 2007, 41, 4840-4846.
Y. Xu, W. A. Shelton, Jr., and W. F. Schneider, "Theoretical Aspects of Oxide Particle Stability and Chemical Reactivity," in Synthesis and Application of Oxide Nanoparticles and Nanostructures, M. Fernandez-Garcia and J. A. Rodriguez, eds., Wiley & Sons, New York, 2006.
W. F. Schneider, "Fundamental Concepts in NOx Catalysis Simulation," in Environmental Catalysis, V. Grassian, ed., CRC Press: Boca Raton, 2005.
W. F. Schneider, K. C. Hass, M. L. Greenfield, C. Wolverton, A. Bogicevic, D. J. Mann, and E. B. Stechel, "Chemical and Materials Simulation at Ford Motor Company," in Foundations of Molecular Modeling and Simulation, P. T. Cummings, P. R. Westmoreland, and B. Carnahan, eds., AIChE Symposium Series No. 325, Volume 97, 2001, pp. 19 - 25.
K. C. Hass and W. F. Schneider, "Molecular Modeling of Paint Photostabilizers," in Proceedings of the 7th Annual Advanced Coatings Technology Conference, Engineering Society of Detroit and Society of Automotive Engineers, Detroit, Michigan, September 28-29, 1998.
T. J. Wallington, W. F. Schneider, O. J. Nielsen, J. Sehested, D. R. Worsnop, W. J. DeBruyn, and J. A. Shorter, "Atmospheric Chemistry and Environmental Impact of Hydrofluorocarbons and Hydrochlorofluorocarbons," in Halon Replacements: Technology and Science, A. W. Miziolek and W. Tsang, eds., American Chemical Society, Washington, D.C., 1995.
B. E. Bursten and W. F. Schneider, "Theoretical Studies of Multiple Metal Metal Bonded Compounds," in Metal Metal Bonds and Clusters in Chemistry and Catalysis, J. P. Fackler, ed., Pergamon Press, New York, 1990.
W. F. Schneider, R. J. Strittmatter, B. E. Bursten, and D. E. Ellis, "Relativistic DV Xα Studies of Three Coordinate Actinide Complexes," in Density Functional Methods in Chemistry, J. K. Labanowski and J. W. Andzelm, eds., Springer Verlag, New York, 1990.
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