Scott, AnthonyPlatz, MRadom, Leo2015-12-130002-7863http://hdl.handle.net/1885/92754High-level ab initio calculations at the G3(MP2)//B3-LYP level have been used to study carbomethoxychlorocarbene and related halogenocarbenes and carbonyl carbenes. Initial calculations at the more accurate W1′ level on the subset CH2, HCCl, HCF, CCl2,Keywords: Singlet-triplet splitting; Chlorine compounds; Ground state; Numerical analysis; Substitution reactions; Organic compounds; carbenoid; carbonyl derivative; article; calculation; chemical modification; chemical reaction; chemical structure; quantum chemist200110.1021/ja004236e2015-12-12