First-principles, quantum-mechanical simulations of electron solvation by a water cluster.
about
Electronic relaxation dynamics in large anionic water clusters: (H2O)n(-) and (D2O)n(-) (n = 25-200).A multistage ab initio quantum wavepacket dynamics formalism for electronic structure and dynamics in open systems.The static-exchange electron-water pseudopotential, in conjunction with a polarizable water model: a new Hamiltonian for hydrated-electron simulations.Hydrated Electron Transfer to Nucleobases in Aqueous Solutions Revealed by Ab Initio Molecular Dynamics Simulations.
P2860
First-principles, quantum-mechanical simulations of electron solvation by a water cluster.
description
2006 nî lūn-bûn
@nan
2006 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած
@hyw
2006 թվականի սեպտեմբերին հրատարակված գիտական հոդված
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2006年の論文
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2006年論文
@yue
2006年論文
@zh-hant
2006年論文
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2006年論文
@zh-mo
2006年論文
@zh-tw
2006年论文
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name
First-principles, quantum-mech ...... solvation by a water cluster.
@ast
First-principles, quantum-mech ...... solvation by a water cluster.
@en
type
label
First-principles, quantum-mech ...... solvation by a water cluster.
@ast
First-principles, quantum-mech ...... solvation by a water cluster.
@en
prefLabel
First-principles, quantum-mech ...... solvation by a water cluster.
@ast
First-principles, quantum-mech ...... solvation by a water cluster.
@en
P2860
P356
P1476
First-principles, quantum-mechanical simulations of electron solvation by a water cluster
@en
P2093
Martin Head-Gordon
P2860
P304
14282-14287
P356
10.1073/PNAS.0603679103
P407
P577
2006-09-14T00:00:00Z