267 related articles for article (PubMed ID: 16471635)
1. Full configuration interaction computer simulation study of the thermodynamic and kinetic stability of hydrated dielectrons.
Larsen RE; Schwartz BJ
J Phys Chem B; 2006 Jan; 110(2):1006-14. PubMed ID: 16471635
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. Nonadiabatic molecular dynamics simulations of correlated electrons in solution. 2. A prediction for the observation of hydrated dielectrons with pump-probe spectroscopy.
Larsen RE; Schwartz BJ
J Phys Chem B; 2006 May; 110(19):9692-7. PubMed ID: 16686520
[TBL] [Abstract][Full Text] [Related]
4. Molecular dynamics simulations of electron-alkali cation pairs in bulk water.
Coudert FX; Archirel P; Boutin A
J Phys Chem B; 2006 Jan; 110(1):607-15. PubMed ID: 16471573
[TBL] [Abstract][Full Text] [Related]
5. The structure of the hydrated electron. Part 2. A mixed quantum/classical molecular dynamics embedded cluster density functional theory: single-excitation configuration interaction study.
Shkrob IA; Glover WJ; Larsen RE; Schwartz BJ
J Phys Chem A; 2007 Jun; 111(24):5232-43. PubMed ID: 17530823
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. Structure, dynamics, and reactivity of hydrated electrons by ab initio molecular dynamics.
Marsalek O; Uhlig F; VandeVondele J; Jungwirth P
Acc Chem Res; 2012 Jan; 45(1):23-32. PubMed ID: 21899274
[TBL] [Abstract][Full Text] [Related]
8. Moving solvated electrons with light: nonadiabatic mixed quantum/classical molecular dynamics simulations of the relocalization of photoexcited solvated electrons in tetrahydrofuran (THF).
Bedard-Hearn MJ; Larsen RE; Schwartz BJ
J Chem Phys; 2006 Nov; 125(19):194509. PubMed ID: 17129125
[TBL] [Abstract][Full Text] [Related]
9. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.
Glover WJ; Larsen RE; Schwartz BJ
J Chem Phys; 2008 Oct; 129(16):164505. PubMed ID: 19045282
[TBL] [Abstract][Full Text] [Related]
10. Dynamics of electron solvation in molecular clusters.
Ehrler OT; Neumark DM
Acc Chem Res; 2009 Jun; 42(6):769-77. PubMed ID: 19361211
[TBL] [Abstract][Full Text] [Related]
11. Ultrafast charge-transfer-to-solvent dynamics of iodide in tetrahydrofuran. 2. Photoinduced electron transfer to counterions in solution.
Bragg AE; Schwartz BJ
J Phys Chem A; 2008 Apr; 112(16):3530-43. PubMed ID: 18386855
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. Model potential approaches for describing the interaction of excess electrons with water clusters: incorporation of long-range correlation effects.
Sommerfeld T; DeFusco A; Jordan KD
J Phys Chem A; 2008 Nov; 112(44):11021-35. PubMed ID: 18959395
[TBL] [Abstract][Full Text] [Related]
14. Exploring the role of decoherence in condensed-phase nonadiabatic dynamics: a comparison of different mixed quantum/classical simulation algorithms for the excited hydrated electron.
Larsen RE; Bedard-Hearn MJ; Schwartz BJ
J Phys Chem B; 2006 Oct; 110(40):20055-66. PubMed ID: 17020394
[TBL] [Abstract][Full Text] [Related]
15. Stability of water-stable C60 clusters to OH radical oxidation and hydrated electron reduction.
Lee J; Song W; Jang SS; Fortner JD; Alvarez PJ; Cooper WJ; Kim JH
Environ Sci Technol; 2010 May; 44(10):3786-92. PubMed ID: 20397700
[TBL] [Abstract][Full Text] [Related]
16. First principles multielectron mixed quantum/classical simulations in the condensed phase. II. The charge-transfer-to-solvent states of sodium anions in liquid tetrahydrofuran.
Glover WJ; Larsen RE; Schwartz BJ
J Chem Phys; 2010 Apr; 132(14):144102. PubMed ID: 20405980
[TBL] [Abstract][Full Text] [Related]
17. Hydrogen forms in water by proton transfer to a distorted electron.
Marsalek O; Frigato T; VandeVondele J; Bradforth SE; Schmidt B; Schütte C; Jungwirth P
J Phys Chem B; 2010 Jan; 114(2):915-20. PubMed ID: 19961167
[TBL] [Abstract][Full Text] [Related]
18. Computational studies of aqueous-phase photochemistry and the hydrated electron in finite-size clusters.
Sobolewski AL; Domcke W
Phys Chem Chem Phys; 2007 Aug; 9(29):3818-29. PubMed ID: 17637974
[TBL] [Abstract][Full Text] [Related]
19. Kinetics and mechanisms of the reactions of hydroxyl radicals and hydrated electrons with nitrosamines and nitramines in water.
Mezyk SP; Ewing DB; Kiddle JJ; Madden KP
J Phys Chem A; 2006 Apr; 110(14):4732-7. PubMed ID: 16599441
[TBL] [Abstract][Full Text] [Related]
20. The role of solvent structure in the absorption spectrum of solvated electrons: mixed quantum/classical simulations in tetrahydrofuran.
Bedard-Hearn MJ; Larsen RE; Schwartz BJ
J Chem Phys; 2005 Apr; 122(13):134506. PubMed ID: 15847480
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]