The static-exchange electron-water pseudopotential, in conjunction with a polarizable water model: a new Hamiltonian for hydrated-electron simulations.

The static-exchange electron-water pseudopotential, in conjunction with a polarizable water model: a new Hamiltonian for hydrated-electron simulations.

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http://www.wikidata.org/entity/Q51843755
Temperature dependence of the hydrated electron's excited-state relaxation. II. Elucidating the relaxation mechanism through ultrafast transient absorption and stimulated emission spectroscopy.Ring polymer molecular dynamics beyond the linear response regime: Excess electron injection and trapping in liquids.A new electron-methanol molecule pseudopotential and its application for the solvated electron in methanol.Electronic relaxation dynamics in large anionic water clusters: (H2O)n(-) and (D2O)n(-) (n = 25-200).Counterintuitive electron localisation from density-functional theory with polarisable solvent models.Implementation of analytical gradients and of a mixed real and momentum space DVR method for excess electron systems described by a self-consistent polarization model.Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models.On the nature of the solvated electron in ice Ih.On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters.Comment on "Does the hydrated electron occupy a cavity?".
P2860

The static-exchange electron-water pseudopotential, in conjunction with a polarizable water model: a new Hamiltonian for hydrated-electron simulations.

Item
http://www.wikidata.org/entity/Q51843755
description
2009 nî lūn-bûn
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2009年の論文
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2009年学术文章
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2009年学术文章
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2009年学术文章
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2009年学术文章
@zh-hans
2009年学术文章
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2009年学术文章
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2009年學術文章
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name
The static-exchange electron-w ...... hydrated-electron simulations.
@en
The static-exchange electron-w ...... hydrated-electron simulations.
@nl
type
label
The static-exchange electron-w ...... hydrated-electron simulations.
@en
The static-exchange electron-w ...... hydrated-electron simulations.
@nl
prefLabel
The static-exchange electron-w ...... hydrated-electron simulations.
@en
The static-exchange electron-w ...... hydrated-electron simulations.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698
P356
P1433
P1476
The static-exchange electron-w ...... hydrated-electron simulations.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698