Ab initio potential energy surface and predicted rotational spectra for the Ne-H2O complex

Journal of Chemical Physics

Volumn 138, Issue 20, 2013, Pages

  Sun, Xueli ^a   Hu, Yun ^a   Zhu, Hua ^a  

^a SICHUAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

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

AB INITIO POTENTIAL ENERGY SURFACE; BASIS SET SUPERPOSITION ERRORS; COUNTERPOISE CORRECTION; COUPLED-CLUSTER SINGLES AND DOUBLES; DISCRETE VARIABLE REPRESENTATION; INTERACTION ENERGIES; REPRESENTATION METHOD; RO-VIBRATIONAL ENERGIES;

POTENTIAL ENERGY;

NEON; WATER;

CHEMISTRY; QUANTUM THEORY; ROTATION; SURFACE PROPERTY;

NEON; QUANTUM THEORY; ROTATION; SURFACE PROPERTIES; WATER;

EID: 84879381185     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4807497     Document Type: Article

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