Long-range corrected density functional calculations of chemical reactions: Redetermination of parameter

Journal of Chemical Physics

Volumn 126, Issue 15, 2007, Pages

  Song, Jong Won ^a   Hirosawa, Tsuyoshi ^a   Tsuneda, Takao ^a   Hirao, Kimihiko ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION; COMPUTATIONAL GEOMETRY; ERROR ANALYSIS; MOLECULAR STRUCTURE; OPTIMIZATION; PARAMETER ESTIMATION;

BARRIER HEIGHT ENERGIES; GEOMETRY OPTIMIZATIONS; LONG-RANGE CORRECTION (LC) SCHEME;

DENSITY FUNCTIONAL THEORY;

EID: 34247355539     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2721532     Document Type: Article

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