355 related articles for article (PubMed ID: 19827790)
1. Are there stable ion-pairs in room-temperature ionic liquids? Molecular dynamics simulations of 1-n-butyl-3-methylimidazolium hexafluorophosphate.
Zhao W; Leroy F; Heggen B; Zahn S; Kirchner B; Balasubramanian S; Müller-Plathe F
J Am Chem Soc; 2009 Nov; 131(43):15825-33. PubMed ID: 19827790
[TBL] [Abstract][Full Text] [Related]
2. Molecular dynamics simulation of imidazolium-based ionic liquids. II. Transport coefficients.
Kowsari MH; Alavi S; Ashrafizaadeh M; Najafi B
J Chem Phys; 2009 Jan; 130(1):014703. PubMed ID: 19140627
[TBL] [Abstract][Full Text] [Related]
3. Molecular dynamics simulations of ionic liquids: cation and anion dependence of self-diffusion coefficients of ions.
Tsuzuki S; Shinoda W; Saito H; Mikami M; Tokuda H; Watanabe M
J Phys Chem B; 2009 Aug; 113(31):10641-9. PubMed ID: 19591511
[TBL] [Abstract][Full Text] [Related]
4. A molecular dynamics investigation of the structural and dynamic properties of the ionic liquid 1-n-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide.
Liu H; Maginn E
J Chem Phys; 2011 Sep; 135(12):124507. PubMed ID: 21974535
[TBL] [Abstract][Full Text] [Related]
5. Molecular dynamics simulation of imidazolium-based ionic liquids. I. Dynamics and diffusion coefficient.
Kowsari MH; Alavi S; Ashrafizaadeh M; Najafi B
J Chem Phys; 2008 Dec; 129(22):224508. PubMed ID: 19071929
[TBL] [Abstract][Full Text] [Related]
6. Molecular dynamics simulation of polymer electrolytes based on poly(ethylene oxide) and ionic liquids. II. Dynamical properties.
Costa LT; Ribeiro MC
J Chem Phys; 2007 Oct; 127(16):164901. PubMed ID: 17979388
[TBL] [Abstract][Full Text] [Related]
7. Correlation between dynamic heterogeneity and local structure in a room-temperature ionic liquid: a molecular dynamics study of [bmim][PF(6)].
Sarangi SS; Zhao W; Müller-Plathe F; Balasubramanian S
Chemphyschem; 2010 Jun; 11(9):2001-10. PubMed ID: 20480488
[TBL] [Abstract][Full Text] [Related]
8. Effect of pressure on the transport properties of ionic liquids: 1-alkyl-3-methylimidazolium salts.
Harris KR; Kanakubo M; Tsuchihashi N; Ibuki K; Ueno M
J Phys Chem B; 2008 Aug; 112(32):9830-40. PubMed ID: 18637684
[TBL] [Abstract][Full Text] [Related]
9. Transport properties of the ionic liquid 1-ethyl-3-methylimidazolium chloride from equilibrium molecular dynamics simulation. The effect of temperature.
Rey-Castro C; Vega LF
J Phys Chem B; 2006 Jul; 110(29):14426-35. PubMed ID: 16854152
[TBL] [Abstract][Full Text] [Related]
10. Dynamics in an idealized ionic liquid model.
Roy D; Patel N; Conte S; Maroncelli M
J Phys Chem B; 2010 Jul; 114(25):8410-24. PubMed ID: 20536202
[TBL] [Abstract][Full Text] [Related]
11. Parametrization of 1-butyl-3-methylimidazolium hexafluorophosphate/nitrate ionic liquid for the GROMOS force field.
Micaelo NM; Baptista AM; Soares CM
J Phys Chem B; 2006 Jul; 110(29):14444-51. PubMed ID: 16854154
[TBL] [Abstract][Full Text] [Related]
12. Refined potential model for atomistic simulations of ionic liquid [bmim][PF6].
Bhargava BL; Balasubramanian S
J Chem Phys; 2007 Sep; 127(11):114510. PubMed ID: 17887860
[TBL] [Abstract][Full Text] [Related]
13. Insights into the structure and dynamics of a room-temperature ionic liquid: ab initio molecular dynamics simulation studies of 1-n-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]) and the [bmim][PF6]-CO2 mixture.
Bhargava BL; Balasubramanian S
J Phys Chem B; 2007 May; 111(17):4477-87. PubMed ID: 17417900
[TBL] [Abstract][Full Text] [Related]
14. Shear viscosity of the ionic liquid 1-n-butyl 3-methylimidazolium hexafluorophosphate [bmim][pf6] computed by reverse nonequilibrium molecular dynamics.
Zhao W; Leroy F; Balasubramanian S; Müller-Plathe F
J Phys Chem B; 2008 Jul; 112(27):8129-33. PubMed ID: 18558736
[TBL] [Abstract][Full Text] [Related]
15. Effect of pressure on transport properties of the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate.
Kanakubo M; Harris KR; Tsuchihashi N; Ibuki K; Ueno M
J Phys Chem B; 2007 Mar; 111(8):2062-9. PubMed ID: 17274650
[TBL] [Abstract][Full Text] [Related]
16. Molecular dynamics simulations of equilibrium and transport properties of amino acid-based room temperature ionic liquids.
Sirjoosingh A; Alavi S; Woo TK
J Phys Chem B; 2009 Jun; 113(23):8103-13. PubMed ID: 19453132
[TBL] [Abstract][Full Text] [Related]
17. Ion association in [bmim][PF6]/naphthalene mixtures: an experimental and computational study.
Del Pópolo MG; Mullan CL; Holbrey JD; Hardacre C; Ballone P
J Am Chem Soc; 2008 Jun; 130(22):7032-41. PubMed ID: 18461932
[TBL] [Abstract][Full Text] [Related]
18. Studying long-time dynamics of imidazolium-based ionic liquids with a systematically coarse-grained model.
Karimi-Varzaneh HA; Müller-Plathe F; Balasubramanian S; Carbone P
Phys Chem Chem Phys; 2010 May; 12(18):4714-24. PubMed ID: 20428551
[TBL] [Abstract][Full Text] [Related]
19. Fragility, Stokes-Einstein violation, and correlated local excitations in a coarse-grained model of an ionic liquid.
Jeong D; Choi MY; Kim HJ; Jung Y
Phys Chem Chem Phys; 2010 Feb; 12(8):2001-10. PubMed ID: 20145870
[TBL] [Abstract][Full Text] [Related]
20. Melting behavior and ionic conductivity in hydrophobic ionic liquids.
Kunze M; Montanino M; Appetecchi GB; Jeong S; Schönhoff M; Winter M; Passerini S
J Phys Chem A; 2010 Feb; 114(4):1776-82. PubMed ID: 20058901
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
