Tunneling and delocalization effects in hydrogen bonded systems: A study in position and momentum space

Journal of Chemical Physics

Volumn 130, Issue 20, 2009, Pages

  Morrone, Joseph A ^a,b   Lin, Lin ^a   Car, Roberto ^a  

^a PRINCETON UNIVERSITY   (United States)

^b Och Spine at New York Presbyterian Hospitals   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CAR-PARRINELLO MOLECULAR DYNAMICS; COMPUTATIONAL STUDIES; CONFINED WATER; COVALENTLY BONDED; DELOCALIZATION EFFECTS; DOUBLE-WELL POTENTIAL; HIGH PRESSURE; HYDROGEN BONDED SYSTEMS; ICE SIMULATION; MIXED STATE; MOMENTUM DISTRIBUTIONS; MOMENTUM SPACES; ONE-DIMENSIONAL MODEL; OPEN-PATH; QUANTUM TUNNELING; TEMPERATURE DEPENDENCE; TUNNELING EFFECTS;

DYNAMICS; HYDROGEN; MOLECULAR DYNAMICS; MOMENTUM; ONE DIMENSIONAL; SIMULATORS; TUNNELING (EXCAVATION);

HYDROGEN BONDS;

ICE; PROTON; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; HYDROGEN BOND; KINETICS; QUANTUM THEORY; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; HYDROGEN BONDING; ICE; KINETICS; MODELS, CHEMICAL; PROTONS; QUANTUM THEORY; THERMODYNAMICS; WATER;

EID: 66749092113     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3142828     Document Type: Article

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