REKS calculations on ortho-, meta- and para-benzyne

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2000-01, Vol.2 (22), p.5046-5048
Main Authors: DE VISSER, Sam P, FILATOV, Michael, SHAIK, Sason
Format: Article
Language:English
Subjects:
Atomic and molecular physics
Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations)
Density-functional theory
Electronic structure of atoms, molecules and their ions: theory
Exact sciences and technology
Physics
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ISSN:1463-9076
1463-9084
DOI:10.1039/b006786p