The theoretical prediction of infrared spectra of trans- and cis-hydroxycarbene calculated using full dimensional ab initio potential energy and dipole moment surfaces

Journal of Chemical Physics

Volumn 128, Issue 20, 2008, Pages

  Koziol, Lucas ^a   Wang, Yimin ^b   Braams, Bastiaan J ^b   Bowman, Joel M ^b   Krylov, Anna I ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

^b EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LEVELS; FORMALDEHYDE; HAMILTONIANS; INFRARED SPECTROSCOPY; POTENTIAL ENERGY;

ANHARMONIC CORRECTIONS; ANHARMONIC COUPLINGS;

ISOMERS;

EID: 44449107632     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2925452     Document Type: Article

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