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Angular dependence of Gaussian‐Lobe orbitals. III. Polyhedric lobe edifices
Author(s) -
Le Rouzo H.,
Silvi B.
Publication year - 1978
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560130306
Subject(s) - atomic orbital , cubic harmonic , gaussian , physics , lobe , molecular physics , molecular orbital theory , quantum mechanics , anatomy , biology , electron
An analysis is presented that shows how the angular symmetry defects of lobe orbitals constructed from a polyhedric edifice can be accurately evaluated, and how these lobe orbitals can be related to harmonic Gaussian functions, the exponents being tranferred by a scale factor procedure.
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