Some Remarks on the Semi‐ and the Nonempirical Values of the Slater‐Condon Parameters and the Parametrization for the One‐Center Electron Repulsion Integrals in the Semiempirical Molecular Orbital Method
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1678162
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1. Molecular and electronic structure of (L-histidinato)pentammineruthenium(III) chloride monohydrate, (H3N)5RuIII(his)Cl3·H2O. X-ray structure, single-crystal polarized charge-transfer spectra, and ab initio and semiempirical molecular orbital calculations;Journal of the American Chemical Society;1987-11-01
2. General formulas for the evaluation of the valence orbital ionization potentials for the K(2)L(8)3sm3pn atoms and for the lower excited configurations of the first- and second-row atoms;The Journal of Physical Chemistry;1980-12
3. Hund's rules and the interpretation and common misinterpretation of energy differences;Molecular Physics;1973-12
4. Reply to ``Comment on one‐center electron repulsion integrals'';The Journal of Chemical Physics;1973-06
5. Comment on one‐center electron repulsion integrals;The Journal of Chemical Physics;1973-06
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