Enrique Alonso-Perez, Jan Paul Heisig, Michaela Kreyenfeld, Paul Gellert, Julie Lorraine O'Sullivan
Intersectional inequalities in the transition to grandparenthood and cognitive functioning: A longitudinal Multilevel Analysis of Individual Heterogeneity and Discriminatory Accuracy (MAIHDA)
The journals of gerontology. Series B, Psychological sciences and social sciences
kinetic data cyclopentadiene c5h6 oxidation reactions significant construction aromatics oxidation mechanism cyclopentadiene c5h6 proved important intermediate aromatics combustion kinetics elementary reactions potential energy surface pes relevant c5h6 ho2 reaction studied work stationary points pes calculated employing ccsdtccpvtzb3lyp6311gdp level theory highpressure limit pressuredependent rate constants elementary reactions pes calculated using conventional transition state theory tst variational transitionstate theory vtst riceramsbergerkasselmarcusmaster equation rrkmme theory work reaction channels c5h6 ho2 reaction include habstraction channels c5h6 ho2 form c5h5 h2o2 addition channels wellskipping pathways form bimolecular products c5h7 o2 c5h6o oh c5h7o2 stabilization unimolecular decomposition form bimolecular products c5h7 o2 c5h6o oh namely sequential pathways studied also consuming reaction channels compounds c5h6o c5h7 addition products studied dominant reaction channels reactions unraveled comparing energy barriers rate constants elementary reactions found 1 ho2 addition cyclopentadiene c5h6 important direct habstraction 2 ho2 addition channels wellskipping pathways sequential pathways competing wellskipping pathways favor higher pressures sequential pathways favor higher temperature 3 major consumption reaction channel fivememberring compound c5h6o reaction channel form c4h6 co major consumption reaction channel fivememberring compound c5h7 reaction channel form c3h5 c2h2 highpressure limit rate constants pressuredependent rate constants elementary reactions pes calculated useful modeling oxidation aromatic compounds low mediumtemperatures