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Journal of Molecular Structure

Volumn 567-568, Issue , 2001, Pages 375-384

Chemical accuracy from 'Coulomb hole' extrapolated molecular quantum-mechanical calculations

(6) Bak, K L a Halkier, A b Jorgensen, P b Olsen, J b Helgaker, T c Klopper, W d

a UNI C ^* (Denmark)

b AARHUS UNIVERSITY (Denmark)

c UNIVERSITY OF OSLO (Norway)

d UTRECHT UNIVERSITY (Netherlands)

Author keywords

Atomisation energies; Basis set extrapolation; Chemical accuracy; Molecular electronic structure; Reaction enthalpies

Indexed keywords

ARTICLE; CHEMICAL STRUCTURE; ENTHALPY; QUANTUM CHEMISTRY; QUANTUM MECHANICS; REACTION ANALYSIS;

EID: 0035853907 PISSN: 00222860 EISSN: None Source Type: Journal
DOI: 10.1016/S0022-2860(01)00566-X Document Type: Article

Times cited : (38)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.