Benson group additivity values of phosphines and phosphine oxides: Fast and accurate computational thermochemistry of organophosphorus species
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.25740
Abstract: Composite quantum chemical methods W1X‐1 and CBS‐QB3 are used to calculate the gas phase standard enthalpy of formation, entropy, and heat capacity of 38 phosphines and phosphine oxides for which reliable experimental thermochemical information is… read more here.
Keywords: benson group; fast accurate; group additivity; phosphine oxides ... See more keywords