ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Various aspects of Del Re's method, its extension and correlation with important properties such as nuclear quadrupole coupling constants and spin-spin coupling constants are discussed. The Del Re parameters for the C-I bond have been evaluated and those for the C-F bond modified. The bond energies and the heats of formation for several σ-systems have been calculated; the energies of a “bond-orbital” for several alkanes have been found to be related with their ionization potentials.
Additional Material:
5 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560060512