Small basis sets for calculations of barrier heights, energies of reaction, electron affinities, geometries, and dipole moments

Theoretical Chemistry Accounts

Volumn 111, Issue 2-6, 2004, Pages 335-344

  Lynch, Benjamin J ^a   Truhlar, Donald G ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATION; ARTICLE; BINDING AFFINITY; CALCULATION; CHEMICAL REACTION; DIPOLE; ELECTRON TRANSPORT; ENERGY; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; REACTION ANALYSIS;

EID: 2442694086     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-003-0518-3     Document Type: Article

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