Accurate Equilibrium Structures for Piperidine and Cyclohexane

Erstveröffentlichung
2015Authors
Demaison, Jean
Craig, Norman C.
Groner, Peter
Ecija, Patricia
Cocinero, Emilio J.
Beitrag zu einer Konferenz
Published in
Journal of Physical Chemistry A ; 119 (2015), 9. - S. 1486-1493. - ISSN 1089-5639
Link to publication
https://dx.doi.org/10.1021/jp505765tFaculties
Fakultät für NaturwissenschaftenInstitutions
Institut für Theoretische ChemieConference
25th Austin Symposium on Molecular Structure and Dynamics, 2014-03, Dallas, TX
Subject headings
[Free subject headings]: EXPERIMENTAL ROTATIONAL-CONSTANTS | MIXED ESTIMATION METHOD | ELECTRON-DIFFRACTION | ab-initio | FORCE-FIELDS | SUBSTITUTION | EQUATORIAL | SPECTRA | PREDICTION | MOLECULES[DDC subject group]: DDC 530 / Physics | DDC 540 / Chemistry & allied sciences