Marco Helbich, Maarten J Zeylmans van Emmichoven, Martin J Dijst, Mei-Po Kwan, Frank H Pierik, Sanne I de Vries
Natural and built environmental exposures on children's active school travel: A Dutch global positioning system-based cross-sectional study
Health & place
investigate actinide covalency effects two ancptt3 th u complexes recently studied pulsed electron paramagnetic resonance spectroscopy using hyperion package obtain relativistic hyperfine coupling constants relativistic multiconfigurational wave functions 1h 13c hyscore simulations using computed parameters show excellent agreement experimental data highlighting accuracy modern relativistic ab initio methods extent covalency indicated calculations thcptt3 agreement original report based traditional spectral fitting methods covalency ucptt3 found previously overestimated latter due paramagnetic spinorbit effect arises naturally relativistic theory hyperfine coupling yet accounted original study thus highlighting necessity relativistic approaches interpretation magnetic resonance data pertaining actinides