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Journal of Chemical Physics

Volumn 129, Issue 7, 2008, Pages

Comparison of path integral molecular dynamics methods for the infrared absorption spectrum of liquid water

(3) Habershon, Scott a Fanourgakis, George S a,b Manolopoulos, David E a

a UNIVERSITY OF OXFORD (United Kingdom)

b INSTITUTE OF COMPUTER SCIENCE (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; ABSORPTION SPECTROSCOPY; ELECTROMAGNETIC WAVE ABSORPTION; ENERGY ABSORPTION; INFRARED ABSORPTION; INFRARED SPECTROSCOPY; LIGHT ABSORPTION; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; SEMICONDUCTING SILICON; SPECTRUM ANALYSIS; WATER ABSORPTION;

INFRA-RED ABSORPTION SPECTRA; LIQUID WATER; LOW FREQUENCIES; PATH-INTEGRAL MOLECULAR DYNAMICS; POTEN TIAL ENERGY; WAVE-NUMBERS;

DYNAMICS;

POLYMER; WATER;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; INFRARED SPECTROPHOTOMETRY; THERMODYNAMICS; VIBRATION;

ALGORITHMS; COMPUTER SIMULATION; MODELS, CHEMICAL; POLYMERS; SPECTROPHOTOMETRY, INFRARED; THERMODYNAMICS; VIBRATION; WATER;

EID: 50249151422 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.2968555 Document Type: Article

Times cited : (203)

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