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

Erstveröffentlichung
2010Authors
Demaison, Jean
Margules, Laurent
Rudolph, Heinz Dieter
Wissenschaftlicher Artikel
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.2010.02.025Faculties
Fakultät für NaturwissenschaftenInstitutions
Institut für Theoretische ChemieSubject headings
[Free subject headings]: Dimethylsulfide | Anharmonic force field | Ab initio | Equilibrium structure | Merged least-squares | CORRELATED MOLECULAR CALCULATIONS | GAUSSIAN-BASIS SETS | MICROWAVE-SPECTRUM | INTERNAL-ROTATION | SULFIDE | MOMENT | ETHER[DDC subject group]: DDC 540 / Chemistry & allied sciences