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Correlation relationships of molar refraction and ten topological indices for 47 organotin compounds
作者姓名:Dai Shugui  Huang Guolan  Sun Hongwen
作者单位:Department of Environmental Science;Nankai University;Tianjin 300071;China,Department of Environmental Science;Nankai University;Tianjin 300071;China,Department of Environmental Science;Nankai University;Tianjin 300071;China
基金项目:This work was supported by the National Natural Science Foundation of China
摘    要:Correlation relationships of 10 topological indices and molar refraction for 47 structurally-complicated organotins which included 16 ionic compounds RmSnX4-m and 31 covalent ones R4Sn that is 41 aliphatic compounds(15 unsaturated and 26 saturated)and 6 aromatic ones were studied.Suitability of these ten topological parameters for describing the structure of elemental organic compounds was then evaluated according to the correlation results.Two lately improved molecular connectivity indices(MCIs)-radius-corrected MCI 1Xr and bond-length-corrected MCI 1Xb were applied and proved to be most suitable for the structure expression in QSA(P)R studies of organotins or other elemental organic compounds.

关 键 词:QSA(P)R  organotin  compounds  topological  parameters  bond-length-corrected  MCI  radius-corrected  MCI.
收稿时间:8/7/1995 12:00:00 AM
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