A Simple ab Initio Model for the Hydrated Electron That Matches Experiment.

A Simple ab Initio Model for the Hydrated Electron That Matches Experiment.

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http://www.wikidata.org/entity/Q43184428
Do Solvated Electrons (e(aq)⁻) Reduce DNA Bases? A Gaussian 4 and Density Functional Theory-Molecular Dynamics StudyTemperature dependence of the hydrated electron's excited-state relaxation. II. Elucidating the relaxation mechanism through ultrafast transient absorption and stimulated emission spectroscopy.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.Efficient modeling of liquid phase photoemission spectra and reorganization energies: Difficult case of multiply charged anions.Gamma and Ion-Beam Irradiation of DNA: Free Radical Mechanisms, Electron Effects, and Radiation Chemical Track Structure.Cytosine Iminyl Radical (cytN•) Formation via Electron-Induced Debromination of 5-Bromocytosine: A DFT and Gaussian 4 Study.Electron affinity of liquid water.Communication: Charge transfer dominates over proton transfer in the reaction of nitric acid with gas-phase hydrated electrons.Efficient floating diffuse functions for accurate characterization of the surface-bound excess electrons in water cluster anions.A DFT study on the mechanism of photoselective catalytic reduction of 4-bromobenzaldehyde in different solvents employing an OH-defected TiO2 cluster model.Benchmark calculations of excess electrons in water cluster cavities: balancing the addition of atom-centered diffuse functions versus floating diffuse functions.Resolving Nonadiabatic Dynamics of Hydrated Electrons Using Ultrafast Photoemission Anisotropy.
P2860

A Simple ab Initio Model for the Hydrated Electron That Matches Experiment.

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http://www.wikidata.org/entity/Q43184428
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2015 nî lūn-bûn
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A Simple ab Initio Model for the Hydrated Electron That Matches Experiment.
@en
A Simple ab Initio Model for the Hydrated Electron That Matches Experiment.
@nl
type
label
A Simple ab Initio Model for the Hydrated Electron That Matches Experiment.
@en
A Simple ab Initio Model for the Hydrated Electron That Matches Experiment.
@nl
prefLabel
A Simple ab Initio Model for the Hydrated Electron That Matches Experiment.
@en
A Simple ab Initio Model for the Hydrated Electron That Matches Experiment.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P698
P932
P356
P1433
P1476
A Simple ab Initio Model for the Hydrated Electron That Matches Experiment.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P698
P932