Solvation free energy profile of the SCN- ion across the water-1,2-dichloroethane liquid/liquid interface. A computer simulation study

Journal of Physical Chemistry C

Volumn 115, Issue 22, 2011, Pages 11140-11146

  Darvas, Mária ^a,b   Jorge, Miguel ^c   D S Cordeiro, M Natalia ^c   Jedlovszky, Pál ^a,d,e  

^a EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^b UNIVERSITÉ DE FRANCHE COMTÉ   (France)

^c UNIVERSITY OF PORTO   (Portugal)

^d INSTITUTE OF EXPERIMENTAL MEDICINE   (Hungary)

^e EKF Department of Chemistry   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

COEXTRACTION; CONSTRAINT FORCES; ENERGY PROFILE; FIRST HYDRATION SHELL; LIQUID/LIQUID INTERFACE; ORGANIC PHASE; SOLVATION FREE ENERGIES; SUBSURFACE REGIONS; WATER MOLECULE; WATER PHASE;

COMPUTER SIMULATION; FREE ENERGY; HYDRATION; INTERFACES (COMPUTER); IONS; SOLVATION;

PHASE INTERFACES;

EID: 79958697358     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp2018605     Document Type: Article

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