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- W2019862813 abstract "A virial partitioning of the electronic energy into contributions from individual electrons enables a quantitative estimate of the bonding nature or molecular orbitals. A bonding index for molecular orbitals is proposed. Numerical results arc reported for H2O, CO, HCHO and LiCN." @default.
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- W2019862813 title "Analysis of the bonding nature of molecular orbitals through a one-electron partitioning of electronic energy" @default.
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- W2019862813 doi "https://doi.org/10.1016/0009-2614(82)80299-6" @default.
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