Ring polymer molecular dynamics beyond the linear response regime: Excess electron injection and trapping in liquids.

Ring polymer molecular dynamics beyond the linear response regime: Excess electron injection and trapping in liquids.

Item
http://www.wikidata.org/entity/Q45966059
Kinetically constrained ring-polymer molecular dynamics for non-adiabatic chemical reactions.Direct simulation of proton-coupled electron transfer across multiple regimes.Non-equilibrium dynamics from RPMD and CMD.Exact quantum statistics for electronically nonadiabatic systems using continuous path variables.Kinetically-constrained ring-polymer molecular dynamics for non-adiabatic chemistries involving solvent and donor-acceptor dynamical effects.Direct simulation of electron transfer using ring polymer molecular dynamics: comparison with semiclassical instanton theory and exact quantum methods.Accelerated path-integral simulations using ring-polymer interpolation.Photoexcited Ag ejection from a low-temperature He cluster: a simulation study by nonadiabatic Ehrenfest ring-polymer molecular dynamics.Chasing charge localization and chemical reactivity following photoionization in liquid water.Ring polymer dynamics for rigid tops with an improved integrator.On the connection of semiclassical instanton theory with Marcus theory for electron transfer in solution.Ring polymer molecular dynamics with surface hopping.Ring polymer dynamics in curved spaces.Mixed time slicing in path integral simulations.How to remove the spurious resonances from ring polymer molecular dynamics
P2860

Ring polymer molecular dynamics beyond the linear response regime: Excess electron injection and trapping in liquids.

Item
http://www.wikidata.org/entity/Q45966059
description
2010 nî lūn-bûn
@nan
2010年の論文
@ja
2010年学术文章
@wuu
2010年学术文章
@zh-cn
2010年学术文章
@zh-hans
2010年学术文章
@zh-my
2010年学术文章
@zh-sg
2010年學術文章
@yue
2010年學術文章
@zh
2010年學術文章
@zh-hant
name
Ring polymer molecular dynamic ...... ction and trapping in liquids.
@en
Ring polymer molecular dynamic ...... ction and trapping in liquids.
@nl
type
label
Ring polymer molecular dynamic ...... ction and trapping in liquids.
@en
Ring polymer molecular dynamic ...... ction and trapping in liquids.
@nl
prefLabel
Ring polymer molecular dynamic ...... ction and trapping in liquids.
@en
Ring polymer molecular dynamic ...... ction and trapping in liquids.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P5875
P698
P818
P356
P1433
P1476
Ring polymer molecular dynamic ...... ction and trapping in liquids.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P5875
P698
P818