950 related articles for article (PubMed ID: 20443608)
1. On the dynamics of ionic liquids: comparisons between electronically polarizable and nonpolarizable models II.
Yan T; Wang Y; Knox C
J Phys Chem B; 2010 May; 114(20):6886-904. PubMed ID: 20443608
[TBL] [Abstract][Full Text] [Related]
2. On the structure of ionic liquids: comparisons between electronically polarizable and nonpolarizable models I.
Yan T; Wang Y; Knox C
J Phys Chem B; 2010 May; 114(20):6905-21. PubMed ID: 20443607
[TBL] [Abstract][Full Text] [Related]
3. Molecular dynamics simulation of the energetic room-temperature ionic liquid, 1-hydroxyethyl-4-amino-1,2,4-triazolium nitrate (HEATN).
Jiang W; Yan T; Wang Y; Voth GA
J Phys Chem B; 2008 Mar; 112(10):3121-31. PubMed ID: 18288833
[TBL] [Abstract][Full Text] [Related]
4. Influence of polarization on structural, thermodynamic, and dynamic properties of ionic liquids obtained from molecular dynamics simulations.
Bedrov D; Borodin O; Li Z; Smith GD
J Phys Chem B; 2010 Apr; 114(15):4984-97. PubMed ID: 20337454
[TBL] [Abstract][Full Text] [Related]
5. Structure of the liquid-vacuum interface of room-temperature ionic liquids: a molecular dynamics study.
Yan T; Li S; Jiang W; Gao X; Xiang B; Voth GA
J Phys Chem B; 2006 Feb; 110(4):1800-6. PubMed ID: 16471748
[TBL] [Abstract][Full Text] [Related]
6. Structure, thermodynamics, and liquid-vapor equilibrium of ethanol from molecular-dynamics simulations using nonadditive interactions.
Patel S; Brooks CL
J Chem Phys; 2005 Oct; 123(16):164502. PubMed ID: 16268707
[TBL] [Abstract][Full Text] [Related]
7. CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model.
Patel S; Mackerell AD; Brooks CL
J Comput Chem; 2004 Sep; 25(12):1504-14. PubMed ID: 15224394
[TBL] [Abstract][Full Text] [Related]
8. Performance of quantum chemically derived charges and persistence of ion cages in ionic liquids. A molecular dynamics simulations study of 1-n-butyl-3-methylimidazolium bromide.
Kohagen M; Brehm M; Thar J; Zhao W; Müller-Plathe F; Kirchner B
J Phys Chem B; 2011 Feb; 115(4):693-702. PubMed ID: 21171617
[TBL] [Abstract][Full Text] [Related]
9. Heterogeneous dynamics of ionic liquids from molecular dynamics simulations.
Habasaki J; Ngai KL
J Chem Phys; 2008 Nov; 129(19):194501. PubMed ID: 19026060
[TBL] [Abstract][Full Text] [Related]
10. Thermodynamical and structural properties of imidazolium based ionic liquids from molecular simulation.
Raabe G; Köhler J
J Chem Phys; 2008 Apr; 128(15):154509. PubMed ID: 18433237
[TBL] [Abstract][Full Text] [Related]
11. Improved united-atom force field for 1-alkyl-3-methylimidazolium chloride.
Liu Z; Chen T; Bell A; Smit B
J Phys Chem B; 2010 Apr; 114(13):4572-82. PubMed ID: 20235515
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. Viscosity of a room temperature ionic liquid: predictions from nonequilibrium and equilibrium molecular dynamics simulations.
Borodin O; Smith GD; Kim H
J Phys Chem B; 2009 Apr; 113(14):4771-4. PubMed ID: 19275203
[TBL] [Abstract][Full Text] [Related]
14. Intermolecular interactions and dynamics of room temperature ionic liquids that have silyl- and siloxy-substituted imidazolium cations.
Shirota H; Wishart JF; Castner EW
J Phys Chem B; 2007 May; 111(18):4819-29. PubMed ID: 17417895
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. A comparison of ether- and alkyl-derivatized imidazolium-based room-temperature ionic liquids: a molecular dynamics simulation study.
Smith GD; Borodin O; Li L; Kim H; Liu Q; Bara JE; Gin DL; Nobel R
Phys Chem Chem Phys; 2008 Nov; 10(41):6301-12. PubMed ID: 18936854
[TBL] [Abstract][Full Text] [Related]
17. Structure and dynamics of N,N-diethyl-N-methylammonium triflate ionic liquid, neat and with water, from molecular dynamics simulations.
Chang TM; Dang LX; Devanathan R; Dupuis M
J Phys Chem A; 2010 Dec; 114(48):12764-74. PubMed ID: 21067238
[TBL] [Abstract][Full Text] [Related]
18. Computational verification of two universal relations for simple ionic liquids. Kinetic properties of a model 2:1 molten salt.
Armstrong JA; Ballone P
J Phys Chem B; 2011 May; 115(17):4927-38. PubMed ID: 21476561
[TBL] [Abstract][Full Text] [Related]
19. Importance of polarization in quantum mechanics/molecular mechanics descriptions of electronic excited states: NaI(H2O)n photodissociation dynamics as a case study.
Koch DM; Peslherbe GH
J Phys Chem B; 2008 Jan; 112(2):636-49. PubMed ID: 18183959
[TBL] [Abstract][Full Text] [Related]
20. Solvation-driven excited-state dynamics of [Re(4-Et-Pyridine)(CO)3(2,2'-bipyridine)]+ in imidazolium ionic liquids. A time-resolved infrared and phosphorescence study.
Blanco-Rodríguez AM; Ronayne KL; Zalis S; Sýkora J; Hof M; Vlcek A
J Phys Chem A; 2008 Apr; 112(16):3506-14. PubMed ID: 18373366
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]