Molecular orbital study of the vinylphosphinidene to phosphapropyne rearrangement

Molecular orbital study of the vinylphosphinidene to phosphapropyne rearrangement

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Bibliographic Details
Published in:Organometallics Vol. 13; no. 2; pp. 640 - 646
Main Authors: Berger, Daniel J, Gaspar, Peter P, Grev, Roger S, Mathey, Francois
Format: Journal Article
Language:English
Published: Washington, DC American Chemical Society 01-02-1994
Subjects:
Ab initio calculations
Atomic and molecular physics
Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations)
Electron correlation calculations for atoms and molecules
Electronic structure of atoms, molecules and their ions: theory
Exact sciences and technology
Physics
Molecular structure
Isomerization
Bond angle
Theoretical study
Hartree-Fock method
Singlet state
MNDO calculations
Electron correlation
Bond lengths
Transition state
Organic phosphorus compounds
Ab initio calculations
Semiempirical method
Coupled cluster method
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Description
Bibliography:istex:960A45AB31EB83005EF30815E047B6FEA65B6123
ark:/67375/TPS-86GC9VMW-W
ISSN:0276-7333
1520-6041
DOI:10.1021/om00014a040