571 related articles for article (PubMed ID: 18361587)
21. Ab initio study of ionic liquids by KS-DFT/3D-RISM-KH theory.
Malvaldi M; Bruzzone S; Chiappe C; Gusarov S; Kovalenko A
J Phys Chem B; 2009 Mar; 113(11):3536-42. PubMed ID: 19278268
[TBL] [Abstract][Full Text] [Related]
22. Base-catalyzed hydrogenation: rationalizing the effects of catalyst and substrate structures and solvation.
Chan B; Radom L
J Am Chem Soc; 2005 Mar; 127(8):2443-54. PubMed ID: 15724999
[TBL] [Abstract][Full Text] [Related]
23. On the role of the dipole and quadrupole moments of aromatic compounds in the solvation by ionic liquids.
Shimizu K; Costa Gomes MF; Pádua AA; Rebelo LP; Canongia Lopes JN
J Phys Chem B; 2009 Jul; 113(29):9894-900. PubMed ID: 19569634
[TBL] [Abstract][Full Text] [Related]
24. Electron photodetachment from iodide in ionic liquids through charge-transfer-to-solvent band excitation.
Katoh R; Yoshida Y; Katsumura Y; Takahashi K
J Phys Chem B; 2007 May; 111(18):4770-4. PubMed ID: 17474702
[TBL] [Abstract][Full Text] [Related]
25. The gaseous enthalpy of formation of the ionic liquid 1-butyl-3-methylimidazolium dicyanamide from combustion calorimetry, vapor pressure measurements, and ab initio calculations.
Emel'yanenko VN; Verevkin SP; Heintz A
J Am Chem Soc; 2007 Apr; 129(13):3930-7. PubMed ID: 17352472
[TBL] [Abstract][Full Text] [Related]
26. Effect of nonpolar solvents on the solute rotation and solvation dynamics in an imidazolium ionic liquid.
Paul A; Samanta A
J Phys Chem B; 2008 Jan; 112(3):947-53. PubMed ID: 18163609
[TBL] [Abstract][Full Text] [Related]
27. Cope elimination: elucidation of solvent effects from QM/MM simulations.
Acevedo O; Jorgensen WL
J Am Chem Soc; 2006 May; 128(18):6141-6. PubMed ID: 16669683
[TBL] [Abstract][Full Text] [Related]
28. Kinetic study of the addition of trihalides to unsaturated compounds in ionic liquids. Evidence of a remarkable solvent effect in the reaction of ICl2-.
Chiappe C; Pieraccini D
J Org Chem; 2004 Sep; 69(18):6059-64. PubMed ID: 15373491
[TBL] [Abstract][Full Text] [Related]
29. Fast substitution reactions of Pt(II) in different ionic liquids. reactivity control by anionic components.
Illner P; Begel S; Kern S; Puchta R; van Eldik R
Inorg Chem; 2009 Jan; 48(2):588-97. PubMed ID: 19086800
[TBL] [Abstract][Full Text] [Related]
30. MD study of solvation in the mixture of a room-temperature ionic liquid and CO(2).
Shim Y; Kim HJ
J Phys Chem B; 2010 Aug; 114(31):10160-70. PubMed ID: 20684639
[TBL] [Abstract][Full Text] [Related]
31. Novel quantum mechanical/molecular mechanical method combined with the theory of energy representation: free energy calculation for the Beckmann rearrangement promoted by proton transfers in the supercritical water.
Takahashi H; Tanabe K; Aketa M; Kishi R; Furukawa S; Nakano M
J Chem Phys; 2007 Feb; 126(8):084508. PubMed ID: 17343459
[TBL] [Abstract][Full Text] [Related]
32. 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]
33. Theoretical determination of the standard reduction potentials of pheophytin-a in N,N-dimethyl formamide and membrane.
Mehta N; Datta SN
J Phys Chem B; 2007 Jun; 111(25):7210-7. PubMed ID: 17536851
[TBL] [Abstract][Full Text] [Related]
34. Kinetic study of thermal Z to E isomerization reactions of azobenzene and 4-dimethylamino-4'-nitroazobenzene in ionic liquids [1-R-3-methylimidazolium bis(trifluoromethylsulfonyl)imide with R = butyl, pentyl, and hexyl].
Baba K; Ono H; Itoh E; Itoh S; Noda K; Usui T; Ishihara K; Inamo M; Takagi HD; Asano T
Chemistry; 2006 Jul; 12(20):5328-33. PubMed ID: 16622884
[TBL] [Abstract][Full Text] [Related]
35. Recombination of photogenerated lophyl radicals in imidazolium-based ionic liquids.
Strehmel V; Wishart JF; Polyansky DE; Strehmel B
Chemphyschem; 2009 Dec; 10(17):3112-8. PubMed ID: 19844933
[TBL] [Abstract][Full Text] [Related]
36. Structure and conformation properties of 1-alkyl-3-methylimidazolium halide ionic liquids: a density-functional theory study.
Wang Y; Li H; Han S
J Chem Phys; 2005 Nov; 123(17):174501. PubMed ID: 16375540
[TBL] [Abstract][Full Text] [Related]
37. Potential of Mean Force Calculations for an S
Sánchez-Badillo J; Gallo M; Guirado-López RA; González-García R
J Phys Chem B; 2020 May; 124(21):4338-4357. PubMed ID: 32352290
[TBL] [Abstract][Full Text] [Related]
38. Solvation and rotational dynamics of coumarin 153 in ionic liquids: comparisons to conventional solvents.
Jin H; Baker GA; Arzhantsev S; Dong J; Maroncelli M
J Phys Chem B; 2007 Jun; 111(25):7291-302. PubMed ID: 17530885
[TBL] [Abstract][Full Text] [Related]
39. Solvation of excess electrons in LiF ionic pair matrix: evidence for a solvated dielectron from ab initio molecular dynamics simulations and calculations.
Zhang L; Yan S; Cukier RI; Bu Y
J Phys Chem B; 2008 Mar; 112(12):3767-72. PubMed ID: 18314971
[TBL] [Abstract][Full Text] [Related]
40. Excess electron solvation in an imidazolium-based room-temperature ionic liquid revealed by ab initio molecular dynamics simulations.
Wang Z; Zhang L; Chen X; Cukier RI; Bu Y
J Phys Chem B; 2009 Jun; 113(24):8222-6. PubMed ID: 19469567
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]