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A molecular orbital approach to electronegativity equalization

✍ Scribed by N. C. Baird; J. M. Sichel; M. A. Whitehead

Publisher
Springer
Year
1968
Tongue
English
Weight
651 KB
Volume
11
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES

Determination of net atomic charges usin
Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. III. Application to halogenated and aromatic molecules
✍ Je Myung Park; Kyoung Tai No; Mu Shik Jhon; Harold A. Scheraga πŸ“‚ Article πŸ“… 1993 πŸ› John Wiley and Sons 🌐 English βš– 852 KB

The net atomic charge parameters for halogen atoms and the atoms in aromatic molecules have been determined by the modified partial equalization of orbital electronegativity method. The same parameters are used for the halogen atoms both in aromatic and nonaromatic systems. The calculated dipole mom