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- W2138963721 abstract "Localized molecular orbitals have been shown to be transferable among structurally-related molecules. We further show that the electronic energies between localized orbitals are transferable and their magnitude can be estimated. A set of parameters of group interaction energies are established from the analysis of small molecules. Use of these parameters is demonstrated successfully for large molecules." @default.
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- W2138963721 date "1979-06-01" @default.
- W2138963721 modified "2023-09-26" @default.
- W2138963721 title "Transferability of Electronic Interaction Energies Between Localized Orbitals" @default.
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- W2138963721 doi "https://doi.org/10.1002/jccs.197900009" @default.
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