Density functional theory and complete basis set ab initio evaluation of proton affinity for some selected chemical systems

Journal of Molecular Structure: THEOCHEM

Volumn 487, Issue 1-2, 1999, Pages 193-203

  Jursic, B S ^a  

^a UNIVERSITY OF NEW ORLEANS   (United States)

Author keywords

Ab initio; Complete basis set; Density functional; Proton affinity

Indexed keywords

CARBON; NITROGEN; OXYGEN; PHOSPHORUS; PROTON; SULFUR;

ACCURACY; BINDING AFFINITY; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL BINDING; CHEMICAL INTERACTION; CONFERENCE PAPER; MOLECULAR DYNAMICS; PHYSICAL CHEMISTRY; TECHNIQUE;

EID: 0033578747     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00154-2     Document Type: Conference Paper

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