W3 theory: Robust computational thermochemistry in the kJ/mol accuracy range

Journal of Chemical Physics

Volumn 120, Issue 9, 2004, Pages 4129-4141

  Daniel Boese, A ^a   Oren, Mikhal ^a   Atasoylu, Onur ^a   Martin, Jan M L ^a   Kállay, Mihály ^b   Gauss, Jürgen ^b  

^a WEIZMANN INSTITUTE OF SCIENCE   (Israel)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION; BINDING ENERGY; COMPUTATIONAL METHODS; CORRELATION METHODS; ELECTRONIC STRUCTURE; ERROR STATISTICS; EXTRAPOLATION; ITERATIVE METHODS; SET THEORY; THERMODYNAMICS;

COMPLETE BASIS SET (CBS); THERMOCHEMISTRY;

MOLECULAR DYNAMICS;

EID: 1842424174     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1638736     Document Type: Article

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