Gaussian-3 and related methods for accurate thermochemistry

Theoretical Chemistry Accounts

Volumn 108, Issue 2, 2002, Pages 61-70

  Curtiss, Larry A ^a   Raghavachari, Krishnan ^b  

^a ARGONNE NATIONAL LABORATORY   (United States)

^b INDIANA UNIVERSITY   (United States)

Author keywords

Ab initio molecular orbital theory; Computational thermochemistry; Molecular energies

Indexed keywords

AB INITIO CALCULATION; ACCURACY; CALCULATION; CHEMISTRY; ELECTRON TRANSPORT; ENERGY; ENTHALPY; GEOMETRY; IONIZATION; MOLECULAR DYNAMICS; NORMAL DISTRIBUTION; PROTON TRANSPORT; REVIEW; THEORY; THERMAL ANALYSIS;

EID: 0036706577     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-002-0355-9     Document Type: Review

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