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- W2045732551 abstract "A quantitative structure−property relationship (QSPR) study of the gas-phase lithium cation basicity of a diverse set of 205 compounds provided a general six-parameter QSPR model (R2 = 0.801; R2cv = 0.785; F = 133.11; s2 = 8.78) using the CODESSA PRO program. Theoretical molecular descriptors, such as the minimum net atomic charge, highest occupied molecular orbital energy, total point-charge component of the molecular dipole, etc., logically explain the reaction equilibrium and electrostatic interaction between a lithium cation and a base." @default.
- W2045732551 created "2016-06-24" @default.
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- W2045732551 date "2004-05-01" @default.
- W2045732551 modified "2023-10-17" @default.
- W2045732551 title "A Quantitative Structure−Property Relationship Study of Lithium Cation Basicities" @default.
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- W2045732551 doi "https://doi.org/10.1021/jp037594n" @default.
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