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Volumn 111, Issue 6, 2011, Pages 1213-1221

Interactions within the alcohol dehydrogenase Zn(II)-metalloenzyme active site: Interplay between subvalence, electron correlation/dispersion, and charge transfer/induction effects

Author keywords

DFT; DFT D; dispersion; electronic correlation; enzyme; metalloenzyme; polarizable force field; zinc

Indexed keywords

DFT; DFT-D; ELECTRONIC CORRELATION; METALLOENZYMES; POLARIZABLE FORCE FIELD;

EID: 79952156742     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22760     Document Type: Conference Paper
Times cited : (14)

References (48)
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    • Bickelhaupt, F.M.1    Baerends, E.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.