A nine-dimensional calculation of the vibrational OH stretching and HOH bending spectrum of the water trimer

Journal of Physical Chemistry A

Volumn 116, Issue 22, 2012, Pages 5368-5374

  Salmi, Teemu ^a   Sälli, Elina ^a   Halonen, Lauri ^a  

^a UNIVERSITY OF HELSINKI   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION INTENSITY; BASIS SETS; BENDING ANGLE; CCSD; CORRELATION CONSISTENT POLARIZED VALENCE; COUNTERPOISE CORRECTION; COUPLED-CLUSTER METHODS; HIGH FREQUENCY HF; INTERNAL COORDINATES; INTRAMOLECULAR POTENTIAL ENERGY; KINETIC-ENERGY OPERATOR; MONOMER UNITS; PERTURBATIVE TRIPLE EXCITATIONS; VARIATIONAL METHODS; VIBRATIONAL ENERGIES; WATER TRIMER;

EIGENVALUES AND EIGENFUNCTIONS; KINETIC ENERGY; MONOMERS; QUANTUM CHEMISTRY;

OLIGOMERS;

EID: 84861875086     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp3017584     Document Type: Article

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