Infrared spectroscopy and effective modes analysis of the protonated water dimer H+(H2O)2 at room temperature under H/D substitution

Journal of Chemical Physics

Volumn 134, Issue 8, 2011, Pages

  Agostini, Federica ^a,c   Vuilleumier, Rodolphe ^a   Ciccotti, Giovanni ^b,d  

^a ECOLE NORMALE SUPÉRIEURE   (France)

^b UNIVERSITY COLLEGE DUBLIN   (Ireland)

^c MAX PLANCK INSTITUTE OF MICROSTRUCTURE PHYSICS   (Germany)

^d UNIVERSITÀ DI ROMA LA SAPIENZA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC; BAND SHIFT; ISOTOPIC SUBSTITUTION; LINEAR COUPLING; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR DYNAMICS TRAJECTORIES; PARAMETRIZATIONS; PROTONATED; QUANTUM EFFECTS; ROOM TEMPERATURE; SPECTRAL REGION; VALENCE BONDS; VIBRATIONAL PROPERTIES; WATER DIMERS; WATER MOLECULE;

COMPUTER SIMULATION; DEUTERIUM; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; MOLECULES; PROTONATION; QUANTUM ELECTRONICS;

DIMERS;

DEUTERIUM; PROTON; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DIMERIZATION; INFRARED SPECTROPHOTOMETRY; METHODOLOGY; TEMPERATURE;

DEUTERIUM; DIMERIZATION; MODELS, MOLECULAR; PROTONS; SPECTROPHOTOMETRY, INFRARED; TEMPERATURE; WATER;

EID: 79952074245     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3521273     Document Type: Article

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