SCOPUS 정보 검색 플랫폼

Journal of Molecular Modeling

Volumn 10, Issue 1, 2004, Pages 6-12

Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation

(1) Stewart, James J P a

a Stewart Computational Chemistry (United States)

Author keywords

AM1; Density functional theory; MNDO; PM3; PM5; Semiempirical methods

Indexed keywords

CHEMICAL COMPOUND;

ACCURACY; ANALYTIC METHOD; ARTICLE; CALCULATION; COMPARATIVE STUDY; CONTROLLED STUDY; DATA BASE; DENSITY FUNCTIONAL THEORY; HEAT; PREDICTION; PRIORITY JOURNAL;

ALKANES; COMPUTER SIMULATION; DATABASES, FACTUAL; ELECTRONS; ENERGY TRANSFER; HEAT; HEXANES; HYDROCARBONS; MODELS, MOLECULAR; MODELS, STATISTICAL; MOLECULAR STRUCTURE; REPRODUCIBILITY OF RESULTS; SOFTWARE; TEMPERATURE; THERMODYNAMICS;

EID: 2942700190 PISSN: 16102940 EISSN: None Source Type: Journal
DOI: 10.1007/s00894-003-0157-6 Document Type: Article

Times cited : (100)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.