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Energy of chemical bonds and spatial energy principles of the hybridization of atom orbitals
Author(s) -
Korablev G. A.,
Zaikov G. E.
Publication year - 2006
Publication title -
journal of applied polymer science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.575
H-Index - 166
eISSN - 1097-4628
pISSN - 0021-8995
DOI - 10.1002/app.24213
Subject(s) - atomic orbital , orbital hybridisation , molecular orbital , atom (system on chip) , chemical bond , basis (linear algebra) , computational chemistry , physics , atomic physics , materials science , molecular orbital theory , chemistry , molecule , quantum mechanics , computer science , electron , mathematics , geometry , embedded system
Methods for the evaluation of energy directedness of atom orbital hybridization and the calculation of the energy of chemical bonds in simple and complex structures are proposed on the basis of the application of the spatial energy parameter concept. Appropriate calculations and comparisons for 68 compounds were made. The calculation results agreed with the experimental data. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 101: 2101–2107, 2006