Variational calculations of vibrational energies and IR spectra of trans -and cis-HOCO using new ab initio potential energy and dipole moment surfaces

Journal of Physical Chemistry A

Volumn 117, Issue 39, 2013, Pages 9343-9352

  Wang, Yimin ^a   Carter, Stuart ^a   Bowman, Joel M ^a  

^a EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO POTENTIALS; DELOCALIZED STATE; DIPOLE MOMENT SURFACES; JACOBI COORDINATES; OSCILLATOR STRENGTHS; VARIATIONAL CALCULATION; VIBRATIONAL EIGENSTATES; VIBRATIONAL ENERGIES;

ANGULAR MOMENTUM; DIPOLE MOMENT; POTENTIAL ENERGY; VARIATIONAL TECHNIQUES;

CALCULATIONS;

EID: 84882304913     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp309911w     Document Type: Article

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