The structure of the hydrated electron. Part 2. A mixed quantum/classical molecular dynamics embedded cluster density functional theory: single-excitation configuration interaction study.
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Visualization of chemical reaction dynamics: toward understanding complex polyatomic reactionsThe hydrated electron: a seemingly familiar chemical and biological transient.Temperature dependence of the hydrated electron's excited-state relaxation. I. Simulation predictions of resonance Raman and pump-probe transient absorption spectra of cavity and non-cavity models.A Simple ab Initio Model for the Hydrated Electron That Matches Experiment.Independent pairs and Monte-Carlo simulations of the geminate recombination of solvated electrons in liquid-to-supercritical water.Counterintuitive electron localisation from density-functional theory with polarisable solvent models.Benchmark calculations of excess electrons in water cluster cavities: balancing the addition of atom-centered diffuse functions versus floating diffuse functions.
P2860
Q26829136-83DF8F3F-4122-47E0-8604-875CF90BDF78Q37875828-052BD103-8E1B-490F-AA30-BE4B442A3324Q38638709-E8511DB9-6EC4-4680-AB2F-83243FCDE804Q43184428-9C7752C7-73FA-4E0D-AF92-2F5ED9D75802Q44617049-958202B1-C721-43A6-87F8-D447472E2BACQ46591370-185C23E0-9545-4169-B4BE-5C1534E3FAAEQ50230912-8FFA1335-2D6E-43F0-9155-20857A813C2B
P2860
The structure of the hydrated electron. Part 2. A mixed quantum/classical molecular dynamics embedded cluster density functional theory: single-excitation configuration interaction study.
description
2007 nî lūn-bûn
@nan
2007年の論文
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2007年学术文章
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2007年学术文章
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2007年学术文章
@zh-cn
2007年学术文章
@zh-hans
2007年学术文章
@zh-my
2007年学术文章
@zh-sg
2007年學術文章
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2007年學術文章
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name
The structure of the hydrated ...... nfiguration interaction study.
@en
The structure of the hydrated ...... nfiguration interaction study.
@nl
type
label
The structure of the hydrated ...... nfiguration interaction study.
@en
The structure of the hydrated ...... nfiguration interaction study.
@nl
prefLabel
The structure of the hydrated ...... nfiguration interaction study.
@en
The structure of the hydrated ...... nfiguration interaction study.
@nl
P50
P356
P1476
The structure of the hydrated ...... onfiguration interaction study
@en
P2093
Ilya A Shkrob
P304
P356
10.1021/JP0682816
P407
P577
2007-05-27T00:00:00Z
P5875
P698
P818
physics/0611176