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Journal of Chemical Physics

Volumn 128, Issue 16, 2008, Pages

Quantum-classical Liouville dynamics of proton and deuteron transfer rates in a solvated hydrogen-bonded complex

(2) Hanna, Gabriel a Kapral, Raymond b

a UNIVERSITY OF MICHIGAN (United States)

b UNIVERSITY OF TORONTO (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; ISOTOPES; KINETICS; PHASE EQUILIBRIA; QUANTUM CHEMISTRY; REACTION RATES;

DEUTERON; DEUTERON TRANSFER; KINETIC ISOTOPE EFFECT (KIE);

PROTONS;

HYDROGEN; PROTON; SOLVENT;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; HYDROGEN BOND; MACROMOLECULE; QUANTUM THEORY;

COMPUTER SIMULATION; HYDROGEN; HYDROGEN BONDING; MACROMOLECULAR SUBSTANCES; MODELS, CHEMICAL; MODELS, MOLECULAR; PROTONS; QUANTUM THEORY; SOLVENTS;

EID: 42949157225 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.2907847 Document Type: Article

Times cited : (29)

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