A new ab initio intermolecular potential energy surface and predicted rotational spectra of the Kr-H2O complex

Journal of Chemical Physics

Volumn 137, Issue 22, 2012, Pages

  Lei, Jinping ^a   Zhou, Yanzi ^a   Xie, Daiqian ^a   Zhu, Hua ^b  

^a NANJING UNIVERSITY   (China)

^b SICHUAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR PHYSICS; NUMERICAL METHODS; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

BASIS SET SUPERPOSITION ERRORS; COUPLED-CLUSTER SINGLES AND DOUBLES; DISCRETE VARIABLE REPRESENTATION; INTERMOLECULAR POTENTIAL ENERGY; INTERMOLECULAR POTENTIAL ENERGY SURFACES; NUCLEAR QUADRUPOLE COUPLING CONSTANTS; ROTATIONAL TRANSITION FREQUENCIES; VIBRATIONAL EXCITED STATE;

POTENTIAL ENERGY;

KRYPTON; WATER;

ARTICLE; CHEMISTRY; QUANTUM THEORY; ROTATION; SPECTROSCOPY;

KRYPTON; QUANTUM THEORY; ROTATION; SPECTRUM ANALYSIS; WATER;

EID: 84871200885     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4770263     Document Type: Article

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