Nuclear reactivity indices within regional density functional theory

Journal of Molecular Modeling

Volumn 11, Issue 4-5, 2005, Pages 312-316

  Ordon, Piotr ^a,b   Tachibana, Akitomo ^a  

^a KYOTO UNIVERSITY   (Japan)

^b WROC AW UNIVERSITY OF ENVIRONMENTAL AND LIFE SCIENCES   (Poland)

Author keywords

Nuclear reactivity indices; Regional DFT; Transition state

Indexed keywords

CARBON MONOXIDE; GERMANIUM DIOXIDE; HYDROCHLORIC ACID; HYDROFLUORIC ACID; OXYGEN; SILICON;

ADDITION REACTION; ARTICLE; CALCULATION; CHEMICAL PARAMETERS; CHEMICAL REACTION; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; MATHEMATICAL ANALYSIS; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; PRIORITY JOURNAL;

HYDROCARBONS; MODELS, CHEMICAL; MOLECULAR STRUCTURE;

EID: 27844572474     PISSN: 16102940     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00894-005-0248-7     Document Type: Article

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