The molecular origin of the "continuous" infrared absorption in aqueous solutions of acids: A computational approach

Angewandte Chemie - International Edition

Volumn 45, Issue 7, 2006, Pages 1144-1147

  Iftimie, Radu ^a   Tuckerman, Mark E ^b  

^a UNIVERSITÉ DE MONTRÉAL   (Canada)

^b NEW YORK UNIVERSITY   (United States)

Author keywords

Ab initio calculations; Density functional calculations; Hydrogen bonds; IR spectroscopy; Proton transport

Indexed keywords

ABSORPTION; ACIDS; HYDROGEN BONDS; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; SOLUTIONS;

AB INITIO CALCULATIONS; DENSITY FUNCTIONAL CALCULATIONS; PROTON TRANSPORT;

INFRARED RADIATION;

EID: 33746282813     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200502259     Document Type: Article

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