Spectra of water dimer from a new ab initio potential with flexible monomers

Journal of Chemical Physics

Volumn 137, Issue 1, 2012, Pages

  Leforestier, Claude ^a   Szalewicz, Krzysztof ^b   Van Der Avoird, Ad ^c  

^a UNIVERSITÉ DE MONTPELLIER   (France)

^b UNIVERSITY OF DELAWARE   (United States)

^c RADBOUD UNIVERSITY NIJMEGEN   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ACCEPTOR MOLECULES; BENCHMARK CALCULATIONS; DISTORTION CORRECTION; DONOR-ACCEPTORS; EQUILIBRIUM GEOMETRIES; INTERMOLECULAR MOTION; INTRAMOLECULAR EXCITATIONS; KINETIC-ENERGY OPERATOR; LIMITING CASE; MARGINAL FREQUENCIES; NON-ADIABATIC COUPLING; PAIR POTENTIAL; RADAU COORDINATES; RELATIVE MOTION; ROTATIONAL CONSTANTS; WATER DIMERS; WATER POTENTIAL;

BINDING ENERGY; CALCULATIONS; EXPERIMENTS; GEOMETRY; MOLECULES; MONOMERS;

DIMERS;

EID: 84863661942     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4722338     Document Type: Article

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