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• W1964564259 abstract "The electronic and geometrical structures of fourteen polar molecules are investigated with the Hartree-Fock (HF) method and the second-order Møller-Plesset (MP2) perturbation theory. The molecules are: formaldehyde, H2CO, propanol, CH3CH2CHO, pivalaldehyde, (CH3)3CCHO, butanal, CH3CH2CH2CHO, acetaldehyde, CH3CHO, 2-butanone, CH3CH2COCH3, trifluoromethylbenzene, C7H5F3, cyclohexanone, C6H10O, acetone, CH3COCH3, cyclopentanone, C5H8O, cyclobutanone, C4H6O, methylacrylonitrile, CH2CCH3CN, acrylonitrile, CH2CHCN, acetonitrile, CH3CN. The electron affinities corresponding to the formation of the dipole-bound states of the anions are calculated. For all the molecules considered, except formaldehyde, the molecules are found to be able to support dipole-bound states." @default.
• W1964564259 created "2016-06-24" @default.
• W1964564259 creator A5029253658 @default.
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• W1964564259 date "1995-03-01" @default.
• W1964564259 modified "2023-10-16" @default.
• W1964564259 title "Relationship between the dipole moments and the electron affinities for some polar organic molecules" @default.
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• W1964564259 doi "https://doi.org/10.1016/0009-2614(95)00119-o" @default.
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