Quantum effects and the excess proton in water

Journal of Chemical Physics

Volumn 107, Issue 18, 1997, Pages 7428-7432

  Pavese, Marc ^a,b   Chawla, Sanjay ^a   Lu, Dongsheng ^a   Lobaugh, John ^a,c   Voth, Gregory A ^a  

^a UNIVERSITY OF UTAH   (United States)

^b UNIVERSITY OF PENNSYLVANIA   (United States)

^c UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTER SIMULATION; ISOTOPES; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PROTONS; WATER;

AB INITIO CALCULATION; DENSITY FUNCTIONAL THEORY; INTERACTION MODEL; ISOTOPE EFFECTS; PROTON EXCHANGE; QUANTUM EFFECTS;

QUANTUM THEORY;

EID: 0031560153     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474980     Document Type: Article

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