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Journal of Molecular Structure

Volumn 552, Issue 1-3, 2000, Pages 117-136

Wavefunction quantization of the proton motion in a H5O2/+ dimer solvated in liquid water

(2) Vuilleumier, R a,b Borgis, D a

a UNIVERSITÉ PIERRE ET MARIE CURIE (France)

b UNIVERSITY OF CAMBRIDGE (United Kingdom)

Author keywords

Car Parrinello simulations; Empirical valence bond model; Wavefunction quantization

Indexed keywords

DIMER; SOLVENT; WATER;

CHEMICAL BOND; CONFERENCE PAPER; ENERGY; INFRARED SPECTROSCOPY; LIQUID; MOLECULAR DYNAMICS; PROTON MOTIVE FORCE; QUANTUM CHEMISTRY; SIMULATION; SOLVATION; WAVEFORM;

EID: 0034718627 PISSN: 00222860 EISSN: None Source Type: Journal
DOI: 10.1016/S0022-2860(00)00471-3 Document Type: Conference Paper

Times cited : (13)

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