Titre:
  • Infrared spectral identification of the high-energy conformer of gauche,Trans,trans,Trans,gauche-octa-1,3,5,7-tetraene
Auteur:Panchenko, Yurii; Bock, Charles; Larkin, Joseph J.D.; Abramenkov, Alexander; De Mare, George; Banaru, Alexandru A.M.
Informations sur la publication:Russian Journal of Physical Chemistry, 85, 12, page (2156-2164)
Statut de publication:Publié, 2011-12
Sujet CREF:Chimie théorique
Physico-chimie générale
Mots-clés:HF/6-31G
MP2(FC)/aug-cc-pVDZ
octa-1,3,5,7-tetraene
rotational isomerism
scaled quantum-mechanical force field (SQM-FF)
van der Waals molecular volumes
vibrational analysis
Note générale:SCOPUS: ar.j
Langue:Anglais
Identificateurs:urn:issn:0036-0244
info:doi/10.1134/S0036024411120259
info:scp/80455176418