POLIR: Polarizable, flexible, transferable water potential optimized for IR spectroscopy

Journal of Chemical Physics

Volumn 129, Issue 3, 2008, Pages

  Mankoo, Parminder K ^a,b   Keyes, Thomas ^a  

^a Boston University   (United States)

^b Johns Hopkins University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMERICAN INSTITUTE OF PHYSICS (AIP); CLASSICAL THEORY; EXTREME CONDITIONS; INFRARED INTENSITIES; IR-SPECTROSCOPY; KINETIC PROPERTIES; LIQUID WATER; PLANETARY SCIENCES; VIBRATIONAL FREQUENCIES; WATER POTENTIAL (WP);

INFRARED SPECTROSCOPY;

WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; INFRARED SPECTROPHOTOMETRY; PLIABILITY; QUANTUM THEORY; SURFACE PROPERTY; VIBRATION;

COMPUTER SIMULATION; MODELS, MOLECULAR; PLIABILITY; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; SURFACE PROPERTIES; VIBRATION; WATER;

EID: 47849099910     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2948966     Document Type: Article

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