Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment

Journal of Chemical Physics

Volumn 142, Issue 19, 2015, Pages

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

^a EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIMERS; DIPOLE MOMENT; LIQUIDS; MOLECULAR DYNAMICS; MONOMERS; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

AB INITIO APPROACH; AB INITIO CALCULATIONS; COMPARISON WITH EXPERIMENTS; DIPOLE MOMENT SURFACES; HARMONIC SPECTRUM; INTERMOLECULAR MODES; MOLECULAR DYNAMICS CALCULATION; QUANTUM CALCULATION;

CALCULATIONS;

EID: 84929598116     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4921045     Document Type: Article

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