Hybrid quantum/classical molecular dynamics for a proton transfer reaction coupled to a dissipative bath.

Hybrid quantum/classical molecular dynamics for a proton transfer reaction coupled to a dissipative bath.

Item
http://www.wikidata.org/entity/Q40309747
Hydrogen tunneling in enzymes and biomimetic models.Nonadiabatic dynamics of electron transfer in solution: explicit and implicit solvent treatments that include multiple relaxation time scales.Finite temperature application of the corrected propagator method to reactive dynamics in a condensed-phase environment.Hybrid approach combining dissipative particle dynamics and finite-difference diffusion model: simulation of reactive polymer coupling and interfacial polymerization.Mixed quantum classical calculation of proton transfer reaction rates: from deep tunneling to over the barrier regimes.On the accuracy of surface hopping dynamics in condensed phase non-adiabatic problems.Surface hopping, transition state theory, and decoherence. II. Thermal rate constants and detailed balance.Surface hopping, transition state theory and decoherence. I. Scattering theory and time-reversibility.Quantum rate dynamics for proton transfer reaction in a model system: effect of the rate promoting vibrational mode.Quantum rate dynamics for proton transfer reactions in condensed phase: the exact hierarchical equations of motion approach.Mixed quantum-classical equilibrium: Surface hopping.New mixed quantumsemiclassical propagation method.Quantum-classical dynamics of wave fields.Mixed quantum-classical simulation of the hydride transfer reaction catalyzed by dihydrofolate reductase based on a mapped system-harmonic bath model.Tunneling dynamics with a mixed quantum-classical method: quantum corrected propagator combined with frozen Gaussian wave packets.Approximate quantum trajectory dynamics for reactive processes in condensed phase
P2860

Hybrid quantum/classical molecular dynamics for a proton transfer reaction coupled to a dissipative bath.

Item
http://www.wikidata.org/entity/Q40309747
description
2006 nî lūn-bûn
@nan
2006年の論文
@ja
2006年論文
@yue
2006年論文
@zh-hant
2006年論文
@zh-hk
2006年論文
@zh-mo
2006年論文
@zh-tw
2006年论文
@wuu
2006年论文
@zh
2006年论文
@zh-cn
name
Hybrid quantum/classical molec ...... coupled to a dissipative bath.
@en
type
label
Hybrid quantum/classical molec ...... coupled to a dissipative bath.
@en
prefLabel
Hybrid quantum/classical molec ...... coupled to a dissipative bath.
@en
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698
P356
P1433
P1476
Hybrid quantum/classical molec ...... coupled to a dissipative bath.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698