303 related articles for article (PubMed ID: 16866390)
1. Ab initio molecular dynamics simulations of an excited state of X(-)(H(2)O)(3) (X = Cl, I) complex.
Kołaski M; Lee HM; Pak C; Dupuis M; Kim KS
J Phys Chem A; 2005 Oct; 109(42):9419-23. PubMed ID: 16866390
[TBL] [Abstract][Full Text] [Related]
2. Charge-transfer-to-solvent-driven dissolution dynamics of I- (H2O)2-5 upon excitation: excited-state ab initio molecular dynamics simulations.
Kołaski M; Lee HM; Pak C; Kim KS
J Am Chem Soc; 2008 Jan; 130(1):103-12. PubMed ID: 18069831
[TBL] [Abstract][Full Text] [Related]
3. Nonadiabatic trajectory studies of NaI(H2O)n photodissociation dynamics.
Koch DM; Timerghazin QK; Peslherbe GH; Ladanyi BM; Hynes JT
J Phys Chem A; 2006 Feb; 110(4):1438-54. PubMed ID: 16435804
[TBL] [Abstract][Full Text] [Related]
4. Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations.
Cauët E; Bogatko S; Weare JH; Fulton JL; Schenter GK; Bylaska EJ
J Chem Phys; 2010 May; 132(19):194502. PubMed ID: 20499974
[TBL] [Abstract][Full Text] [Related]
5. Electron attachment in ice-HCl clusters: an ab initio study.
Li X; Sanche L; Rauk A; Armstrong D
J Phys Chem A; 2005 May; 109(20):4591-600. PubMed ID: 16833796
[TBL] [Abstract][Full Text] [Related]
6. Ab initio QM/MM molecular dynamics study on the excited-state hydrogen transfer of 7-azaindole in water solution.
Kina D; Nakayama A; Noro T; Taketsugu T; Gordon MS
J Phys Chem A; 2008 Oct; 112(40):9675-83. PubMed ID: 18785694
[TBL] [Abstract][Full Text] [Related]
7. Treatment of dilute clusters of methanol and water by ab initio quantum mechanical calculations.
Ruckenstein E; Shulgin IL; Tilson JL
J Phys Chem A; 2005 Feb; 109(5):807-15. PubMed ID: 16838951
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. Quantum vibrational analysis of hydrated ions using an ab initio potential.
Kamarchik E; Bowman JM
J Phys Chem A; 2010 Dec; 114(49):12945-51. PubMed ID: 21080684
[TBL] [Abstract][Full Text] [Related]
10. Production of vibrationally excited H(2)O from charge exchange of H(3)O(+) with cesium.
Mann JE; Xie Z; Savee JD; Bowman JM; Continetti RE
J Chem Phys; 2009 Jan; 130(4):041102. PubMed ID: 19191369
[TBL] [Abstract][Full Text] [Related]
11. Dissociative electron capture of halocarbon caused by the internal electron transfer from water trimer anion.
Tachikawa H
Phys Chem Chem Phys; 2008 Apr; 10(16):2200-6. PubMed ID: 18404226
[TBL] [Abstract][Full Text] [Related]
12. Hydrated hydride anion clusters.
Lee HM; Kim D; Singh NJ; Kołaski M; Kim KS
J Chem Phys; 2007 Oct; 127(16):164311. PubMed ID: 17979342
[TBL] [Abstract][Full Text] [Related]
13. Photoinduced electron transfer and solvation dynamics in aqueous clusters: comparison of the photoexcited iodide-water pentamer and the water pentamer anion.
Mak CC; Timerghazin QK; Peslherbe GH
Phys Chem Chem Phys; 2012 May; 14(18):6257-65. PubMed ID: 22466252
[TBL] [Abstract][Full Text] [Related]
14. Ground state structures and excited state dynamics of pyrrole-water complexes: ab initio excited state molecular dynamics simulations.
Kumar A; Kołaski M; Kim KS
J Chem Phys; 2008 Jan; 128(3):034304. PubMed ID: 18205495
[TBL] [Abstract][Full Text] [Related]
15. Photodissociation of hydrated hydrogen iodide clusters.
Lee HM; Kolaski M; Kim KS
Chemphyschem; 2008 Mar; 9(4):567-71. PubMed ID: 18286552
[TBL] [Abstract][Full Text] [Related]
16. Photochemistry of hydrogen halides on water clusters: simulations of electronic spectra and photodynamics, and comparison with photodissociation experiments.
Ončák M; Slavíček P; Fárník M; Buck U
J Phys Chem A; 2011 Jun; 115(23):6155-68. PubMed ID: 21265520
[TBL] [Abstract][Full Text] [Related]
17. Spherical electron cloud hopping molecular dynamics simulation on dissociative recombination of protonated water.
Yu HG
J Phys Chem A; 2009 Jun; 113(24):6555-61. PubMed ID: 19469513
[TBL] [Abstract][Full Text] [Related]
18. Nonadiabatic molecular dynamics simulations of correlated electrons in solution. 1. Full configuration interaction (CI) excited-state relaxation dynamics of hydrated dielectrons.
Larsen RE; Schwartz BJ
J Phys Chem B; 2006 May; 110(19):9681-91. PubMed ID: 16686519
[TBL] [Abstract][Full Text] [Related]
19. Multiphoton dissociation dynamics of BrCl and the BrCl+ cation.
Vieuxmaire OP; Hendrik Nahler N; Dixon RN; Ashfold MN
Phys Chem Chem Phys; 2007 Nov; 9(41):5531-41. PubMed ID: 17957309
[TBL] [Abstract][Full Text] [Related]
20. Theoretical study of binding interactions and vibrational Raman spectra of water in hydrogen-bonded anionic complexes: (H2O)n- (n = 2 and 3), H2O...X- (X = F, Cl, Br, and I), and H2O...M- (M = Cu, Ag, and Au).
Wu DY; Duan S; Liu XM; Xu YC; Jiang YX; Ren B; Xu X; Lin SH; Tian ZQ
J Phys Chem A; 2008 Feb; 112(6):1313-21. PubMed ID: 18215023
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]