Correlation relationships of molar refraction and ten topological indices for 47 organotin compounds |
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作者姓名: | Dai Shugui Huang Guolan Sun Hongwen |
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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 |
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基金项目: | This work was supported by the National Natural Science Foundation of China |
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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.
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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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