Optical spectroscopy of the bulk and interfacial hydrated electron from ab initio calculations.
about
The solvation of electrons by an atmospheric-pressure plasma.Temperature 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.A Simple ab Initio Model for the Hydrated Electron That Matches Experiment.Counterintuitive electron localisation from density-functional theory with polarisable solvent models.On the nature of the solvated electron in ice Ih.Benchmark calculations of excess electrons in water cluster cavities: balancing the addition of atom-centered diffuse functions versus floating diffuse functions.Excess electrons in methanol clusters: Beyond the one-electron picture.Long-range corrected density functional theory with accelerated Hartree-Fock exchange integration using a two-Gaussian operator [LC-ωPBE(2Gau)].Charge-transfer-to-solvent reactions from I(-) to water, methanol, and ethanol studied by time-resolved photoelectron spectroscopy of liquids.On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters.
P2860
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P2860
Optical spectroscopy of the bulk and interfacial hydrated electron from ab initio calculations.
description
2014 nî lūn-bûn
@nan
2014年の論文
@ja
2014年学术文章
@wuu
2014年学术文章
@zh
2014年学术文章
@zh-cn
2014年学术文章
@zh-hans
2014年学术文章
@zh-my
2014年学术文章
@zh-sg
2014年學術文章
@yue
2014年學術文章
@zh-hant
name
Optical spectroscopy of the bu ...... n from ab initio calculations.
@en
Optical spectroscopy of the bu ...... n from ab initio calculations.
@nl
type
label
Optical spectroscopy of the bu ...... n from ab initio calculations.
@en
Optical spectroscopy of the bu ...... n from ab initio calculations.
@nl
prefLabel
Optical spectroscopy of the bu ...... n from ab initio calculations.
@en
Optical spectroscopy of the bu ...... n from ab initio calculations.
@nl
P50
P356
P1476
Optical spectroscopy of the bu ...... n from ab initio calculations.
@en
P2093
Marc P Coons
P304
P356
10.1021/JP5004243
P407
P577
2014-03-13T00:00:00Z