In search of the next Holy Grail of polyoxide chemistry: Explicitly correlated ab initio full quartic force fields for HOOH, HOOOH, HOOOOH, and their isotopologues

Journal of Chemical Physics

Volumn 136, Issue 8, 2012, Pages

  Hollman, David S ^a   Schaefer III, Henry F ^a  

^a UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO METHOD; ANHARMONIC VIBRATIONAL FREQUENCY; BASIS SETS; CCSD; EQUILIBRIUM STRUCTURES; EXPERIMENTAL IDENTIFICATION; FORCE FIELDS; FUNDAMENTAL FREQUENCIES; ISOTOPOLOGUES; QUARTIC FORCE FIELDS; ROTATIONAL CONSTANTS;

ISOMERS;

EQUILIBRIUM CONSTANTS;

EID: 84857874277     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3684231     Document Type: Article

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