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Journal of Molecular Structure: THEOCHEM

Volumn 586, Issue 1-3, 2002, Pages 201-208

Ab initio calculation of proton barrier and binding energy of the (H2O)OH- complex

(2) Samson, Claire C M a Klopper, Wim a

a UTRECHT UNIVERSITY (Netherlands)

Author keywords

Basis set superposition error; Coupled cluster theory; Explicit correlation; Hydrogen bond; Proton transfer

Indexed keywords

HYDROXYL GROUP; PROTON; WATER;

AB INITIO CALCULATION; ARTICLE; DISSOCIATION; ENERGY; HYDROGEN BOND; PROTON TRANSPORT; VIBRATION; WAVEFORM;

EID: 0037150942 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(02)00066-0 Document Type: Article

Times cited : (48)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.