Valence bond depopulation

Changes comprise a n -electron transfer from C to S, transfer of (T-electrons from outer valence to inner valence space at C and vice versa at S, a transfer of cr-electronic charge from S to C and depopulation (population) of the lone-pair region at S (C). These changes lead to a decrease of the CS bond polarity and decreased atomic charges relative to MP2 (Table 9). Pair correlation effects included at MP2 are reduced by the coupling of pair correlations covered at MP3,... 

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