Infrared shifts of the water dimer from the fully flexible ab initio HBB2 potential

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

Volumn 370, Issue 1968, 2012, Pages 2675-2690

  Leforestier, Claude ^a  

^a UNIVERSITÉ DE MONTPELLIER   (France)

Author keywords

Far infrared spectrum; Infrared shifts; Potential energy surface; Water dimer

Indexed keywords

CALCULATIONS; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

AB INITIO; ADIABATIC APPROXIMATIONS; ADIABATIC SEPARATION; CORIOLIS COUPLING; EXPERIMENTAL DATA; FAR INFRARED SPECTRUM; INTERMOLECULAR MOTION; INTRAMOLECULAR MOTION; RADAU COORDINATES; ROTATIONAL CONSTANTS; VARIATIONAL APPROACHES; WATER DIMERS;

DIMERS;

EID: 84860605829     PISSN: 1364503X     EISSN: None     Source Type: Journal    
DOI: 10.1098/rsta.2011.0187     Document Type: Article

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