Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal ice.
about
Role of water in atomic resolution AFM in solutions.Bimolecular reaction rates from ring polymer molecular dynamics.Determination of the experimental equilibrium structure of solid nitromethane using path-integral molecular dynamics simulations.Linearized semiclassical initial value time correlation functions with maximum entropy analytic continuation.Hyperfine coupling of the hydrogen atom in high temperature water.Kinetically constrained ring-polymer molecular dynamics for non-adiabatic chemical reactions.A ring polymer molecular dynamics study of the isotopologues of the H + H2 reaction.Ring polymer molecular dynamics beyond the linear response regime: Excess electron injection and trapping in liquids.Direct simulation of proton-coupled electron transfer across multiple regimes.Quantum dynamical effects in liquid water: A semiclassical study on the diffusion and the infrared absorption spectrum.Non-equilibrium dynamics from RPMD and CMD.Direct simulation of electron transfer using ring polymer molecular dynamics: comparison with semiclassical instanton theory and exact quantum methods.Ring-polymer molecular dynamics rate-theory in the deep-tunneling regime: Connection with semiclassical instanton theory.Accelerated path-integral simulations using ring-polymer interpolation.Diverging effects of isotopic fractionation upon molecular diffusion of noble gases in water: mechanistic insights through ab initio molecular dynamics simulations.Simultaneous Deep Tunneling and Classical Hopping for Hydrogen Diffusion on Metals.Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates.Accelerating ring-polymer molecular dynamics with parallel-replica dynamics.Ring polymer dynamics in curved spaces.Interpolating moving least-squares methods for fitting potential energy surfaces: using classical trajectories to explore configuration space.Comparison of path integral molecular dynamics methods for the infrared absorption spectrum of liquid water.How to remove the spurious resonances from ring polymer molecular dynamics
P2860
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P2860
Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal ice.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh-hant
name
Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal ice.
@en
Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal ice.
@nl
type
label
Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal ice.
@en
Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal ice.
@nl
prefLabel
Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal ice.
@en
Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal ice.
@nl
P2860
P50
P356
P1476
Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal ice.
@en
P2860
P304
P356
10.1063/1.2925792
P407
P577
2008-05-01T00:00:00Z