First-principles molecular dynamics simulations at solid-liquid interfaces with a continuum solvent.
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Simplified continuum solvent model with a smooth cavity based on volumetric data.Electrode potential dependent desolvation and resolvation of germanium(100) in contact with aqueous perchlorate electrolytes.Self-consistent continuum solvation (SCCS): the case of charged systems.A metal-free strategy to release chemisorbed H2 from hydrogenated boron nitride nanotubes.Doping as a means to probe the potential dependence of dopamine adsorption on carbon-based surfaces: A first-principles study.A generalized Poisson solver for first-principles device simulations.Self-consistent continuum solvation for optical absorption of complex molecular systems in solution.Revised self-consistent continuum solvation in electronic-structure calculations.
P2860
Q30868495-3AA72861-84B6-41BE-9FCB-62E6909357FFQ46364637-65896CBD-CBB6-437E-842E-A47CF0C0A297Q46961774-B4E38124-5D26-4E94-B8DD-DBB8D9E15CEAQ47587569-EDEE4CFD-7E62-4347-B204-555596C906EAQ47994001-3B45CADC-451B-4019-9E15-01F4AB12E909Q50723798-1A260D55-FF50-41F8-AE08-2E1848ED81A4Q50972138-205F0B19-C37C-44AF-9168-E2B3BF5199F2Q51416914-370B2AE6-5BF4-45E4-8028-BD05D37E107A
P2860
First-principles molecular dynamics simulations at solid-liquid interfaces with a continuum solvent.
description
2009 nî lūn-bûn
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name
First-principles molecular dyn ...... aces with a continuum solvent.
@en
First-principles molecular dyn ...... aces with a continuum solvent.
@nl
type
label
First-principles molecular dyn ...... aces with a continuum solvent.
@en
First-principles molecular dyn ...... aces with a continuum solvent.
@nl
prefLabel
First-principles molecular dyn ...... aces with a continuum solvent.
@en
First-principles molecular dyn ...... aces with a continuum solvent.
@nl
P2093
P2860
P356
P1476
First-principles molecular dyn ...... aces with a continuum solvent.
@en
P2093
Damián A Scherlis
Mariela Sued
Verónica M Sánchez
P2860
P304
P356
10.1063/1.3254385
P407
P577
2009-11-01T00:00:00Z