Dielectric constants of binary mixtures of propylene carbonate with dimethyl carbonate and ethylene carbonate from molecular dynamics simulation: comparison between non-polarizable and polarizable force fields

Author： Lee Sanghun   Park Sung Soo  

Publisher： Taylor & Francis Ltd

ISSN： 1362-3028

Source： Molecular Physics, Vol.111, Iss.2, 2013-01, pp. : 277-285

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

The performance of non-polarizable and polarizable force-field parameter sets for ethylene glycol in molecular dynamics simulations of the pure liquid and its aqueous mixtures

By Geerke D. P.   van Gunsteren W. F.  

Molecular Physics, Vol. 105, Iss. 13-14, 2007-07 ,pp. : 1861-1881

Taylor & Francis Ltd

Access to resources Recommend Favorite

Potential of mean force for ion pairs in non-aqueous solvents. Comparison of polarizable and non-polarizable MD simulations

By Odinokov A. V.   Leontyev I. V.   Basilevsky M. V.   Petrov N. Ch.  

Molecular Physics, Vol. 109, Iss. 2, 2011-01 ,pp. : 217-227

Taylor & Francis Ltd

Access to resources Recommend Favorite

Simulation studies on mixtures of polarizable dipolar and polarizable non-polar linear molecules

By Kriebel Christian   Winkelmann Jochen  

Molecular Physics, Vol. 93, Iss. 2, 1998-02 ,pp. : 347-353

Taylor & Francis Ltd

Access to resources Recommend Favorite

Conformational analysis of liquid dimethyl carbonate by molecular dynamics calculations

By Okada Okimasa  

Molecular Physics, Vol. 93, Iss. 1, 1998-01 ,pp. : 153-158

Taylor & Francis Ltd

Access to resources Recommend Favorite

Phase diagram of γ-butyrolactone-dimethyl-carbonate mixtures

By  

Le Journal de Physique IV, Vol. 11, Iss. PR10, 2001-12 ,pp. : Pr10-27-Pr10-33

Edp Sciences

Access to resources Recommend Favorite