Hydrogen bond, electron donor-acceptor dimer, and residence dynamics in supercritical CO2-ethanol mixtures and the effect of hydrogen bonding on single reorientational and translational dynamics: A molecular dynamics simulation study

Journal of Chemical Physics

Volumn 133, Issue 1, 2010, Pages

  Skarmoutsos, Ioannis ^a   Guardia, Elvira ^b   Samios, Jannis ^c  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

^b UNIVERSITAT POLITÈCNICA DE CATALUNYA   (Spain)

^c UNIVERSITY OF ATHENS   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

AGGREGATION EFFECTS; AVERAGE NUMBERS; COSOLVENTS; EFFECT OF HYDROGEN; ELECTRON DONOR ACCEPTORS; ETHANOL MIXTURES; HYDROGEN BONDINGS; LOCAL ENVIRONMENTS; MOLECULAR DYNAMICS SIMULATIONS; RESIDENCE TIME; SOLVATION SHELL; SUPERCRITICAL CO; SUPERCRITICAL MIXTURES; TRANSLATIONAL DYNAMICS;

CARBON DIOXIDE; DIMERS; DYNAMICS; ETHANOL; HYDROGEN; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULES; SOLVATION; SUPERCRITICAL FLUID EXTRACTION;

HYDROGEN BONDS;

EID: 77954613601     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3449142     Document Type: Article

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