Deriving chemical parameters from electrostatic potential maps of molecular anions

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Bibliographic Details
Published in:Inorganic chemistry 1992-05, Vol.31 (11), p.2279-2281
Main Authors: Gadre, Shridhar R, Koelmel, Christoph, Shrivastava, Indira H
Format: Article
Language:English
Subjects:
Ab initio calculations
Atomic and molecular physics
Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations)
Electronic structure of atoms, molecules and their ions: theory
Exact sciences and technology
Physics
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ISSN:0020-1669
1520-510X
DOI:10.1021/ic00037a051