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Calculation of the Intrinsic Solvation Free Energy Profile of an Ionic Penetrant Across a Liquid-Liquid Interface with Computer Simulations. / Darvas, Mária; Jorge, Miguel; Cordeiro, M. Natalia D S et al.
In: Journal of Physical Chemistry B, Vol. 117, No. 50, 19.12.2013, p. 16148-16156.

Research output: Contribution to journal › Article › peer-review

Harvard

Darvas, M, Jorge, M, Cordeiro, MNDS, Kantorovich, SS, Sega, M & Jedlovszky, P 2013, 'Calculation of the Intrinsic Solvation Free Energy Profile of an Ionic Penetrant Across a Liquid-Liquid Interface with Computer Simulations', Journal of Physical Chemistry B, vol. 117, no. 50, pp. 16148-16156. https://doi.org/10.1021/jp404699t

APA

Darvas, M., Jorge, M., Cordeiro, M. N. D. S., Kantorovich, S. S., Sega, M., & Jedlovszky, P. (2013). Calculation of the Intrinsic Solvation Free Energy Profile of an Ionic Penetrant Across a Liquid-Liquid Interface with Computer Simulations. Journal of Physical Chemistry B, 117(50), 16148-16156. https://doi.org/10.1021/jp404699t

Vancouver

Darvas M, Jorge M, Cordeiro MNDS, Kantorovich SS, Sega M, Jedlovszky P. Calculation of the Intrinsic Solvation Free Energy Profile of an Ionic Penetrant Across a Liquid-Liquid Interface with Computer Simulations. Journal of Physical Chemistry B. 2013 Dec 19;117(50):16148-16156. doi: 10.1021/jp404699t

Author

Darvas, Mária ; Jorge, Miguel ; Cordeiro, M. Natalia D S et al. / Calculation of the Intrinsic Solvation Free Energy Profile of an Ionic Penetrant Across a Liquid-Liquid Interface with Computer Simulations. In: Journal of Physical Chemistry B. 2013 ; Vol. 117, No. 50. pp. 16148-16156.

BibTeX

@article{07d27d833d15483fb2b5678634ba5e70,
title = "Calculation of the Intrinsic Solvation Free Energy Profile of an Ionic Penetrant Across a Liquid-Liquid Interface with Computer Simulations",
keywords = "MOLECULAR-DYNAMICS SIMULATION, VAPOR INTERFACE, LIQUID/LIQUID INTERFACES, WATER-VAPOR, POTENTIAL FUNCTIONS, CHEMICAL-REACTIONS, DENSITY PROFILES, ORGANIC-SOLVENT, MD SIMULATIONS, ITIM ANALYSIS",
author = "M{\'a}ria Darvas and Miguel Jorge and Cordeiro, {M. Natalia D S} and Kantorovich, {Sofia S.} and Marcello Sega and P{\'a}l Jedlovszky",
year = "2013",
month = dec,
day = "19",
doi = "10.1021/jp404699t",
language = "English",
volume = "117",
pages = "16148--16156",
journal = "Journal of Physical Chemistry B",
issn = "1520-6106",
publisher = "American Chemical Society",
number = "50",

}

RIS

TY - JOUR

T1 - Calculation of the Intrinsic Solvation Free Energy Profile of an Ionic Penetrant Across a Liquid-Liquid Interface with Computer Simulations

AU - Darvas, Mária

AU - Jorge, Miguel

AU - Cordeiro, M. Natalia D S

AU - Kantorovich, Sofia S.

AU - Sega, Marcello

AU - Jedlovszky, Pál

PY - 2013/12/19

Y1 - 2013/12/19

KW - MOLECULAR-DYNAMICS SIMULATION

KW - VAPOR INTERFACE

KW - LIQUID/LIQUID INTERFACES

KW - WATER-VAPOR

KW - POTENTIAL FUNCTIONS

KW - CHEMICAL-REACTIONS

KW - DENSITY PROFILES

KW - ORGANIC-SOLVENT

KW - MD SIMULATIONS

KW - ITIM ANALYSIS

UR - http://www.scopus.com/inward/record.url?scp=84890913239&partnerID=8YFLogxK

UR - https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=tsmetrics&SrcApp=tsm_test&DestApp=WOS_CPL&DestLinkType=FullRecord&KeyUT=000328920600024

U2 - 10.1021/jp404699t

DO - 10.1021/jp404699t

M3 - Article

AN - SCOPUS:84890913239

VL - 117

SP - 16148

EP - 16156

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

SN - 1520-6106

IS - 50

ER -

ID: 921529