Anharmonic Vibrational Treatment Exclusively in Curvilinear Valence Coordinates: The Case of Formamide

Journal of Physical Chemistry A

Volumn 119, Issue 48, 2015, Pages 11719-11728

  Richter, F ^a   Thaunay, F ^a,c   Lauvergnat, D ^b   Carbonniere P ^a  

^a UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR   (France)

^b UNIVERSITÉ PARIS SUD   (France)

^c ECOLE POLYTECHNIQUE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDES; ELECTRONIC STRUCTURE; KINETIC ENERGY; KINETICS; MOLECULAR PHYSICS; QUANTUM CHEMISTRY;

COMBINATION MODES; CURVILINEAR COORDINATE; HIGHLY-CORRELATED; MULTICONFIGURATION; RELAXATION METHODS; TIME DEPENDENT; VIBRATIONAL COUPLINGS; VIBRATIONAL FUNDAMENTALS;

POTENTIAL ENERGY;

EID: 84948845925     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.5b08482     Document Type: Article

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