Low-level DFT calculations II: Molecules containing fluorine and second- row atoms

Journal of Molecular Structure: THEOCHEM

Volumn 492, Issue 1-3, 1999, Pages 113-121

  Vauthier, E G ^a   Cosse Barbi A ^a   Blain, M ^b   Fliszar S ^c  

^a UNIVERSITÉ PARIS DESCARTES   (France)

^b SORBONNE UNIVERSITÉ   (France)

^c UNIVERSITÉ DE MONTRÉAL   (Canada)

Author keywords

Density functional theory; First row elements; Local spin density theory

Indexed keywords

CHLORINE; FLUORINE; PHOSPHORUS; SILICON; SULFUR;

ACCURACY; ARTICLE; CHEMICAL BINDING; CHEMICAL REACTION KINETICS; COMPUTER ANALYSIS; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; THEORY;

EID: 0343851581     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00131-1     Document Type: Article

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