281 related articles for article (PubMed ID: 20370132)
1. Structure and dynamics of the protic ionic liquid monomethylammonium nitrate ([CH3NH3][NO3]) from ab initio molecular dynamics simulations.
Zahn S; Thar J; Kirchner B
J Chem Phys; 2010 Mar; 132(12):124506. PubMed ID: 20370132
[TBL] [Abstract][Full Text] [Related]
2. Depolarization of water in protic ionic liquids.
Zahn S; Wendler K; Delle Site L; Kirchner B
Phys Chem Chem Phys; 2011 Sep; 13(33):15083-93. PubMed ID: 21769354
[TBL] [Abstract][Full Text] [Related]
3. A first principles theoretical study of vibrational spectral diffusion and hydrogen bond dynamics in aqueous ionic solutions: D2O in hydration shells of Cl(-) ions.
Mallik BS; Semparithi A; Chandra A
J Chem Phys; 2008 Nov; 129(19):194512. PubMed ID: 19026071
[TBL] [Abstract][Full Text] [Related]
4. Solvation structure of hydroxyl radical by Car-Parrinello molecular dynamics.
Khalack JM; Lyubartsev AP
J Phys Chem A; 2005 Jan; 109(2):378-86. PubMed ID: 16833356
[TBL] [Abstract][Full Text] [Related]
5. Ultrafast dynamics of hydrogen bond exchange in aqueous ionic solutions.
Park S; Odelius M; Gaffney KJ
J Phys Chem B; 2009 Jun; 113(22):7825-35. PubMed ID: 19435307
[TBL] [Abstract][Full Text] [Related]
6. On the physical origin of the cation-anion intermediate bond in ionic liquids Part I. Placing a (weak) hydrogen bond between two charges.
Lehmann SB; Roatsch M; Schöppke M; Kirchner B
Phys Chem Chem Phys; 2010 Jul; 12(27):7473-86. PubMed ID: 20532355
[TBL] [Abstract][Full Text] [Related]
7. Vibrational spectral diffusion and hydrogen bond dynamics in heavy water from first principles.
Mallik BS; Semparithi A; Chandra A
J Phys Chem A; 2008 Jun; 112(23):5104-12. PubMed ID: 18491881
[TBL] [Abstract][Full Text] [Related]
8. Structural properties of hydration shell around various conformations of simple polypeptides.
Czapiewski D; Zielkiewicz J
J Phys Chem B; 2010 Apr; 114(13):4536-50. PubMed ID: 20232827
[TBL] [Abstract][Full Text] [Related]
9. Solvation of lithium salts in protic ionic liquids: a molecular dynamics study.
Méndez-Morales T; Carrete J; Cabeza Ó; Russina O; Triolo A; Gallego LJ; Varela LM
J Phys Chem B; 2014 Jan; 118(3):761-70. PubMed ID: 24405468
[TBL] [Abstract][Full Text] [Related]
10. Proton transfer and polarity changes in ionic liquid-water mixtures: a perspective on hydrogen bonds from ab initio molecular dynamics at the example of 1-ethyl-3-methylimidazolium acetate-water mixtures--part 1.
Brehm M; Weber H; Pensado AS; Stark A; Kirchner B
Phys Chem Chem Phys; 2012 Apr; 14(15):5030-44. PubMed ID: 22389030
[TBL] [Abstract][Full Text] [Related]
11. Ab initio molecular dynamics of liquid 1,3-dimethylimidazolium chloride.
Bühl M; Chaumont A; Schurhammer R; Wipff G
J Phys Chem B; 2005 Oct; 109(39):18591-9. PubMed ID: 16853393
[TBL] [Abstract][Full Text] [Related]
12. Hydrogen bond and residence dynamics of ion-water and water-water pairs in supercritical aqueous ionic solutions: dependence on ion size and density.
Mallik BS; Chandra A
J Chem Phys; 2006 Dec; 125(23):234502. PubMed ID: 17190562
[TBL] [Abstract][Full Text] [Related]
13. Dynamics of halide ion-water hydrogen bonds in aqueous solutions: dependence on ion size and temperature.
Chowdhuri S; Chandra A
J Phys Chem B; 2006 May; 110(19):9674-80. PubMed ID: 16686518
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. Combined QM/MM and classical molecular dynamics study of [Ru(bpy)3]2+ in water.
Moret ME; Tavernelli I; Rothlisberger U
J Phys Chem B; 2009 Jun; 113(22):7737-44. PubMed ID: 19435301
[TBL] [Abstract][Full Text] [Related]
16. Structural rearrangements in water viewed through two-dimensional infrared spectroscopy.
Roberts ST; Ramasesha K; Tokmakoff A
Acc Chem Res; 2009 Sep; 42(9):1239-49. PubMed ID: 19585982
[TBL] [Abstract][Full Text] [Related]
17. Alkali cation extraction by calix[4]crown-6 to room-temperature ionic liquids. The effect of solvent anion and humidity investigated by molecular dynamics simulations.
Sieffert N; Wipff G
J Phys Chem A; 2006 Jan; 110(3):1106-17. PubMed ID: 16420015
[TBL] [Abstract][Full Text] [Related]
18. A combined QM/MM molecular dynamics simulations study of nitrate anion (NO3-) in aqueous solution.
Tongraar A; Tangkawanwanit P; Rode BM
J Phys Chem A; 2006 Nov; 110(47):12918-26. PubMed ID: 17125309
[TBL] [Abstract][Full Text] [Related]
19. Bifurcated hydrogen bond in lithium nitrate trihydrate probed by ab initio molecular dynamics.
Muniz-Miranda F; Pagliai M; Cardini G; Righini R
J Phys Chem A; 2012 Mar; 116(9):2147-53. PubMed ID: 22309150
[TBL] [Abstract][Full Text] [Related]
20. Ultrasonic velocities, densities, viscosities, electrical conductivities, Raman spectra, and molecular dynamics simulations of aqueous solutions of Mg(OAc)2 and Mg(NO3)2: Hofmeister effects and ion pair formation.
Wahab A; Mahiuddin S; Hefter G; Kunz W; Minofar B; Jungwirth P
J Phys Chem B; 2005 Dec; 109(50):24108-20. PubMed ID: 16375403
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
