Ring-polymer molecular dynamics: rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H2) → HX + H(X = C(1D), S(1D)).
about
Theoretical and experimental investigations of rate coefficients of O((1)D) + CH4 at low temperature.Kinetics study of the CN + CH4 hydrogen abstraction reaction based on a new ab initio analytical full-dimensional potential energy surface.Non-equilibrium dynamics from RPMD and CMD.Photoexcited Ag ejection from a low-temperature He cluster: a simulation study by nonadiabatic Ehrenfest ring-polymer molecular dynamics.A ring polymer molecular dynamics study of the OH + H2(D2) reaction.An experimental and theoretical investigation of the C(1D) + D2 reaction.Should thermostatted ring polymer molecular dynamics be used to calculate thermal reaction rates?An alternative derivation of ring-polymer molecular dynamics transition-state theory.Boltzmann-conserving classical dynamics in quantum time-correlation functions: "Matsubara dynamics".
P2860
Q36161321-1959D8F1-E16F-4EC3-9ED0-962532923E7AQ38681161-66CE5FFD-7890-44CE-8BBC-2726C4B1DF31Q46347155-E790AC63-3BAA-4132-B55F-F2079C42221BQ47843384-15554629-577F-4AB9-95AF-4F983FF89EAFQ47878157-AE552116-2F97-4BB7-B206-209A380FE545Q51090212-98AD76E0-E13B-48A6-BD6D-CB777D7F0766Q51577549-8C1C8698-399B-47C7-AA79-FFA75D6330DFQ53104747-06B26299-6209-4D90-AD45-75451DACEE9EQ53550625-F96CADD1-B428-46D9-AC27-F17DED0B42D9
P2860
Ring-polymer molecular dynamics: rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H2) → HX + H(X = C(1D), S(1D)).
description
2014 nî lūn-bûn
@nan
2014年の論文
@ja
2014年論文
@yue
2014年論文
@zh-hant
2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
@wuu
2014年论文
@zh
2014年论文
@zh-cn
name
Ring-polymer molecular dynamic ...... 2) → HX + H(X = C(1D), S(1D)).
@en
Ring-polymer molecular dynamic ...... 2) → HX + H(X = C(1D), S(1D)).
@nl
type
label
Ring-polymer molecular dynamic ...... 2) → HX + H(X = C(1D), S(1D)).
@en
Ring-polymer molecular dynamic ...... 2) → HX + H(X = C(1D), S(1D)).
@nl
prefLabel
Ring-polymer molecular dynamic ...... 2) → HX + H(X = C(1D), S(1D)).
@en
Ring-polymer molecular dynamic ...... 2) → HX + H(X = C(1D), S(1D)).
@nl
P2093
P2860
P356
P1476
Ring-polymer molecular dynamic ...... 2) → HX + H(X = C(1D), S(1D)).
@en
P2093
Wendi J Kong
Yury V Suleimanov
P2860
P304
P356
10.1063/1.4904080
P407
P577
2014-12-01T00:00:00Z