Adsorption of HF and HCl molecules on ice at 190 and 235 K from molecular dynamics simulations: Free energy profiles and residence times

Journal of Chemical Physics

Volumn 118, Issue 21, 2003, Pages 9814-9823

  Toubin, C ^a   Picaud, S ^a   Hoang, P N M ^a   Girardet, C ^a   Lynden Bell, R M ^b   Hynes, James T ^c,d  

^a UNIVERSITÉ DE FRANCHE COMTÉ   (France)

^b QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

^c ECOLE NORMALE SUPÉRIEURE   (France)

^d UNIVERSITY OF COLORADO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; FREE ENERGY; HYDROCHLORIC ACID; HYDROFLUORIC ACID; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; TEMPERATURE;

HALIDE ACID; STRATOSPHERIC TEMPERATURE;

ADSORPTION;

EID: 0038340912     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1570408     Document Type: Article

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