High-accuracy thermochemistry of atmospherically important fluorinated and chlorinated methane derivatives.

Abstract

High-precision quantum chemical calculations have been performed for atmospherically important halomethane derivatives including CF, CF(3), CHF(2), CH(2)F, CF(2), CF(4), CHF, CHF(3), CH(3)F, CH(2)F(2), CCl, CCl(3), CHCl(2), CH(2)Cl, CCl(2), CCl(4), CHCl, CHCl(3), CH(3)Cl, CH(2)Cl(2), CHFCl, CF(2)Cl, CFCl(2), CFCl, CFCl(3), CF(2)Cl(2), CF(3)Cl, CHFCl(2), CHF… (More)
DOI: 10.1021/jp105268m

Topics

Cite this paper

@article{Csontos2010HighaccuracyTO, title={High-accuracy thermochemistry of atmospherically important fluorinated and chlorinated methane derivatives.}, author={J{\'o}zsef Csontos and Zolt{\'a}n Rolik and Sanghamitra Das and Mih{\'a}ly K{\'a}llay}, journal={The journal of physical chemistry. A}, year={2010}, volume={114 50}, pages={13093-103} }