Accurate determination of an equilibrium structure in the presence of a small coordinate: The case of dimethylsulfide

Erstveröffentlichung
2010
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Wissenschaftlicher Artikel


Authors
Demaison, Jean
Margules, Laurent
Rudolph, Heinz Dieter
Faculties
Fakultät für Naturwissenschaften
Institutions
Institut für Theoretische Chemie
Published in
Journal of molecular structure ; 978 (2010), 1-3, SI. - S. 229-233. - ISSN 0022-2860. - eISSN 1872-8014
Link to publication
https://dx.doi.org/10.1016/j.molstruc.2010.02.025
Funding information
Barbara Mez-Starck Foundation
Keywords
Dimethylsulfide; Anharmonic force field; Ab initio; Equilibrium structure; Merged least-squares; CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; MICROWAVE-SPECTRUM; INTERNAL-ROTATION; SULFIDE; MOMENT; ETHER
Dewey Decimal Group
DDC 540 / Chemistry & allied sciences
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