The determination of an accurate isotope dependent potential energy surface for water from extensive ab initio calculations and experimental data

Journal of Chemical Physics

Volumn 106, Issue 11, 1997, Pages 4618-4639

  Partridge, Harry ^a   Schwenke, David W ^a  

^a NASA AMES RESEARCH CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; DATABASE SYSTEMS; ELECTRON ENERGY LEVELS; ISOTOPES; MOLECULAR SPECTROSCOPY; MOLECULAR VIBRATIONS; OPTIMIZATION; VARIATIONAL TECHNIQUES;

BOND LENGTH; DIPOLE MOMENT; MULTIREFERENCE CONFIGURATION INTERACTION APPROACH; POTENTIAL ENERGY SURFACE; SELF CONSISTENT FIELD APPROACH;

WATER;

EID: 0031094323     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473987     Document Type: Article

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