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Methane population analysis

Table 8 gives the complete population analysis for these molecules. Propane has been added for the same reason for which methane was considered above. Figure 14 gives the MOs of dimethyl sulphoxide, and Figure 15 the topmost ones of dimethyl sulphone. [Pg.20]

Table 1. Charge distribution in free methane as given by DFT (Hirschfeld partitioned charges, Mulliken population analysis, ESP fitted charges) and MOPAC calculations. Table 1. Charge distribution in free methane as given by DFT (Hirschfeld partitioned charges, Mulliken population analysis, ESP fitted charges) and MOPAC calculations.

See other pages where Methane population analysis is mentioned: [Pg.99]    [Pg.36]    [Pg.355]    [Pg.167]    [Pg.79]    [Pg.60]    [Pg.204]    [Pg.145]    [Pg.185]    [Pg.34]    [Pg.125]    [Pg.67]    [Pg.166]    [Pg.191]    [Pg.63]    [Pg.67]    [Pg.147]    [Pg.185]    [Pg.220]    [Pg.262]    [Pg.266]    [Pg.254]    [Pg.57]   
See also in sourсe #XX -- [ Pg.79 ]

See also in sourсe #XX -- [ Pg.203 , Pg.204 ]




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