Competing quantum effects in the dynamics of a flexible water model

Journal of Chemical Physics

Volumn 131, Issue 2, 2009, Pages

  Habershon, Scott ^a   Markland, Thomas E ^a   Manolopoulos, David E ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION FREQUENCIES; DIFFUSION COEFFICIENTS; FLEXIBLE MODEL; FLEXIBLE WATER MODELS; HARMONIC FUNCTION; HEXAGONAL ICE; HYDROGEN BONDING NETWORK; INTERMOLECULAR INTERACTIONS; INTRAMOLECULAR INTERACTIONS; LIQUID DENSITY; LIQUID STRUCTURES; LIQUID WATER; MELTING TEMPERATURES; O-H STRETCHING BANDS; ORIENTATIONAL RELAXATION; PATH INTEGRAL; QUANTUM EFFECTS; QUANTUM MECHANICAL EFFECTS; QUANTUM MECHANICAL FLUCTUATIONS; QUANTUM SIMULATIONS; SIMPLE POINT CHARGE MODELS; TEMPERATURE VARIATION; TRANSLATIONAL DIFFUSION; TUNNELING EFFECTS; VISCOUS LIQUIDS; WATER MODELS; ZERO POINT MOTION; ZERO-POINT ENERGIES;

ABSORPTION; ABSORPTION SPECTROSCOPY; ATMOSPHERIC PRESSURE; DIFFUSION; FOURIER SERIES; HARMONIC ANALYSIS; HYDROGEN; INFRARED ABSORPTION; INFRARED SPECTROSCOPY; LIQUIDS; MELTING POINT; QUANTUM CHEMISTRY; QUANTUM ELECTRONICS; SYSTEMS ENGINEERING; VIBRATIONS (MECHANICAL);

SIMULATORS;

EID: 67650770626     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3167790     Document Type: Article

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