590 related articles for article (PubMed ID: 18785694)
21. Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.
Nguyen MT; Matus MH; Jackson VE; Vu TN; Rustad JR; Dixon DA
J Phys Chem A; 2008 Oct; 112(41):10386-98. PubMed ID: 18816037
[TBL] [Abstract][Full Text] [Related]
22. Ab initio study on ultrafast excited-state decay of allopurinol keto-N9H tautomer from gas phase to aqueous solution.
Guo X; Zhao Y; Cao Z
J Phys Chem A; 2014 Oct; 118(39):9013-20. PubMed ID: 24649813
[TBL] [Abstract][Full Text] [Related]
23. Excited state tautomerization of azaindole.
Cash MT; Schreiner PR; Phillips RS
Org Biomol Chem; 2005 Oct; 3(20):3701-6. PubMed ID: 16211105
[TBL] [Abstract][Full Text] [Related]
24. Excited-state hydrogen-atom transfer along solvent wires: water molecules stop the transfer.
Tanner C; Thut M; Steinlin A; Manca C; Leutwyler S
J Phys Chem A; 2006 Feb; 110(5):1758-66. PubMed ID: 16451005
[TBL] [Abstract][Full Text] [Related]
25. Photochemistry of the water dimer: time-dependent quantum wave-packet description of the dynamics at the S1-S0 conical intersection.
Chmura B; Lan Z; Rode MF; Sobolewski AL
J Chem Phys; 2009 Oct; 131(13):134307. PubMed ID: 19814553
[TBL] [Abstract][Full Text] [Related]
26. Quantifying free energy profiles of proton transfer reactions in solution and proteins by using a diabatic FDFT mapping.
Xiang Y; Warshel A
J Phys Chem B; 2008 Jan; 112(3):1007-15. PubMed ID: 18166038
[TBL] [Abstract][Full Text] [Related]
27. Excited-state double-proton transfer in the 7-azaindole dimer in the gas phase. 2. Cooperative nature of double-proton transfer revealed by H/D kinetic isotopic effects.
Sakota K; Sekiya H
J Phys Chem A; 2005 Mar; 109(12):2722-7. PubMed ID: 16833583
[TBL] [Abstract][Full Text] [Related]
28. Theoretical study on water-mediated excited-state multiple proton transfer in 7-azaindole: significance of hydrogen bond rearrangement.
Yu XF; Yamazaki S; Taketsugu T
J Phys Chem A; 2012 Nov; 116(43):10566-73. PubMed ID: 23043464
[TBL] [Abstract][Full Text] [Related]
29. Phenol-water(1Schemmel D; Schütz M
J Chem Phys; 2007 Nov; 127(17):174304. PubMed ID: 17994815
[TBL] [Abstract][Full Text] [Related]
30. Excited-state intermolecular proton transfer reactions of 7-azaindole(MeOH)(n) (n = 1-3) clusters in the gas phase: on-the-fly dynamics simulation.
Daengngern R; Kungwan N; Wolschann P; Aquino AJ; Lischka H; Barbatti M
J Phys Chem A; 2011 Dec; 115(49):14129-36. PubMed ID: 22026497
[TBL] [Abstract][Full Text] [Related]
31. Calculating geochemical reaction pathways--exploration of the inner-sphere water exchange mechanism in Al(H2O)6(3+)(aq) + nH2O with ab Initio calculations and molecular dynamics.
Evans RJ; Rustad JR; Casey WH
J Phys Chem A; 2008 May; 112(17):4125-40. PubMed ID: 18366199
[TBL] [Abstract][Full Text] [Related]
32. Effect of additional hydrogen peroxide to H2O2...(H2O)n, n=1 and 2 complexes: quantum chemical study.
Kulkarni AD; Pathak RK; Bartolotti LJ
J Chem Phys; 2006 Jun; 124(21):214309. PubMed ID: 16774409
[TBL] [Abstract][Full Text] [Related]
33. Ab initio molecular dynamics study of glycine intramolecular proton transfer in water.
Leung K; Rempe SB
J Chem Phys; 2005 May; 122(18):184506. PubMed ID: 15918728
[TBL] [Abstract][Full Text] [Related]
34. A theoretical study on excited state double proton transfer reaction of a 7-azaindole dimer: an ab initio potential energy surface and its empirical valence bond model.
Ando K; Hayashi S; Kato S
Phys Chem Chem Phys; 2011 Jun; 13(23):11118-27. PubMed ID: 21552642
[TBL] [Abstract][Full Text] [Related]
35. Excited-state proton transfer in 7-hydroxy-4-methylcoumarin along a hydrogen-bonded water wire.
Georgieva I; Trendafilova N; Aquino AJ; Lischka H
J Phys Chem A; 2007 Jan; 111(1):127-35. PubMed ID: 17201395
[TBL] [Abstract][Full Text] [Related]
36. Excited electronic state mixing in 7-azaindole. Quantitative measurements using the Stark effect.
Young JW; Pozun ZD; Jordan KD; Pratt DW
J Phys Chem B; 2013 Dec; 117(49):15695-700. PubMed ID: 24028449
[TBL] [Abstract][Full Text] [Related]
37. Ab initio rigid water: effect on water structure, ion hydration, and thermodynamics.
Leung K; Rempe SB
Phys Chem Chem Phys; 2006 May; 8(18):2153-62. PubMed ID: 16751873
[TBL] [Abstract][Full Text] [Related]
38. Ab initio molecular dynamics of excited-state intramolecular proton transfer around a three-state conical intersection in malonaldehyde.
Coe JD; Martínez TJ
J Phys Chem A; 2006 Jan; 110(2):618-30. PubMed ID: 16405334
[TBL] [Abstract][Full Text] [Related]
39. Polarization and charge-transfer effects in aqueous solution via ab initio QM/MM simulations.
Mo Y; Gao J
J Phys Chem B; 2006 Feb; 110(7):2976-80. PubMed ID: 16494296
[TBL] [Abstract][Full Text] [Related]
40. Electron hydration dynamics in water clusters: A direct ab initio molecular dynamics approach.
Tachikawa H
J Chem Phys; 2006 Oct; 125(14):144307. PubMed ID: 17042590
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
