SCOPUS 정보 검색 플랫폼

Journal of Molecular Structure: THEOCHEM

Volumn 585, Issue 1-3, 2002, Pages 35-47

Reliability of ab initio (HF, post HF and DFT) methods and basis set dependencies for accurate prediction of equilibrium re distances of CO bond lengths

(2) Neugebauer, Alexander a Haüfelinger, Guänter a

a UNIVERSITY OF TÜBINGEN (Germany)

Author keywords

Bond distances for alanine dipeptide, thymine and vanillin; CO bond lengths; Distance dependent scaling factors; Equilibrium re distances; HF, post HF and density functional theory

Indexed keywords

CARBON MONOXIDE;

AB INITIO CALCULATION; ACCURACY; ANALYTIC METHOD; ARTICLE; CHEMICAL BINDING; CHEMICAL STRUCTURE; EQUILIBRIUM CONSTANT; LINEAR REGRESSION ANALYSIS; MATHEMATICAL ANALYSIS; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; PREDICTION; RELIABILITY; STATISTICAL ANALYSIS; STRUCTURE ANALYSIS;

EID: 0037123872 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(02)00038-6 Document Type: Article

Times cited : (12)

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