Quantum calculations of intramolecular IR spectra of ice models using ab initio potential and dipole moment surfaces

Journal of Physical Chemistry Letters

Volumn 3, Issue 24, 2012, Pages 3671-3676

  Liu, Hanchao ^a   Wang, Yimin ^a   Bowman, Joel M ^a  

^a EMORY UNIVERSITY   (United States)

Author keywords

Excited States; Photochemistry; Spectroscopy

Indexed keywords

AB INITIO; ANHARMONICITIES; BEND REGIONS; CORE REGION; DIPOLE MOMENT SURFACES; ICE MODEL; INTRAMOLECULAR VIBRATIONAL MODES; IR SPECTRUM; QUANTUM CALCULATION; VARIATIONAL CALCULATION;

CALCULATIONS; DIPOLE MOMENT; EXCITED STATES; MONOMERS; PHOTOCHEMICAL REACTIONS; SPECTROSCOPY; VARIATIONAL TECHNIQUES;

ICE;

EID: 84871575938     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz3016777     Document Type: Article

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