Effect of molecular geometry relaxation on the potential energy function of internal rotation

Effect of molecular geometry relaxation on the potential energy function of internal rotation

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Bibliographic Details
Published in:Journal of physical chemistry (1952) Vol. 96; no. 5; pp. 2111 - 2114
Main Authors: De Mare, George R, Panchenko, Yu. N, Abramenkov, A. V
Format: Journal Article
Language:English
Published: Washington, DC American Chemical Society 01-03-1992
Subjects:
Atomic and molecular physics
Exact sciences and technology
Molecular properties and interactions with photons
Molecular spectra
Physics
Potential energy curve
Isotope effect
Internal rotation
Ab initio method
Theoretical study
Hartree Fock theory
Electron correlation
Glyoxal
Moller Plesset partition
Organic compounds
Conformation
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Description
Bibliography:ark:/67375/TPS-28TRF7Q7-9
istex:84E95B3B49F9B3A666BD6675215812156F5EFE88
ISSN:0022-3654
1541-5740
DOI:10.1021/j100184a018