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Theoretical Chemistry Accounts

Volumn 107, Issue 4, 2002, Pages 211-219

Partial Hessian vibrational analysis: The localization of the molecular vibrational energy and entropy

(2) Li, Hui a Jensen, Jan H a

a E11 SSH (United States)

Author keywords

Ab initio; Constrained optimizations; Hessians; Quantum mechanics molecular mechanics; Vibrational analysis

Indexed keywords

AB INITIO CALCULATION; ARTICLE; CHEMICAL REACTION; ENTHALPY; ENTROPY; MOLECULAR INTERACTION; MOLECULAR MECHANICS; OSCILLATORY POTENTIAL; QUANTUM MECHANICS; REACTION ANALYSIS;

EID: 0036251380 PISSN: 1432881X EISSN: None Source Type: Journal
DOI: 10.1007/s00214-001-0317-7 Document Type: Article

Times cited : (117)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.