Ab initio calculation of the photoelectron spectra of the hydroxycarbene diradicals

Journal of Physical Chemistry A

Volumn 113, Issue 27, 2009, Pages 7802-7809

  Koziol, Lucas ^a   Mozhayskiy, Vadim A ^a   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

AB INITIO CALCULATIONS; CCSD; CIS AND TRANS ISOMERS; DIFFERENT MODES; DIRADICALS; EQUILIBRIUM STRUCTURES; MODE COUPLING; NORMAL COORDINATE; PHOTOELECTRON SPECTRUM; VIBRATIONAL CONFIGURATION-INTERACTION; VIBRATIONAL WAVE FUNCTIONS;

ISOMERS; PHOTOELECTRONS; PHOTOIONIZATION; PHOTONS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; ROTATION; WAVE FUNCTIONS;

PHOTOELECTRON SPECTROSCOPY;

EID: 67649667186     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp903476w     Document Type: Article

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