Quantum rate dynamics for proton transfer reactions in condensed phase: the exact hierarchical equations of motion approach.

Quantum rate dynamics for proton transfer reactions in condensed phase: the exact hierarchical equations of motion approach.

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http://www.wikidata.org/entity/Q51841093
Non-equilibrium dynamics from RPMD and CMD.Convergence of high order perturbative expansions in open system quantum dynamics.A time domain two-particle approximation to calculate the absorption and circular dichroism line shapes of molecular aggregates.Mixed quantum classical calculation of proton transfer reaction rates: from deep tunneling to over the barrier regimes.Reduced quantum dynamics with arbitrary bath spectral densities: hierarchical equations of motion based on several different bath decomposition schemes.Non-equilibrium reactive flux: A unified framework for slow and fast reaction kinetics.Non-Markovian reduced dynamics based upon a hierarchical effective-mode representation.Explicit system-bath correlation calculated using the hierarchical equations of motion method.Quantum rate dynamics for proton transfer reaction in a model system: effect of the rate promoting vibrational mode.Influences of molecular packing on the charge mobility of organic semiconductors: from quantum charge transfer rate theory beyond the first-order perturbation.Multistate electron transfer dynamics in the condensed phase: exact calculations from the reduced hierarchy equations of motion approach.Optical line shapes of molecular aggregates: hierarchical equations of motion method.Electron transfer dynamics: Zusman equation versus exact theory.Mixed quantum-classical simulation of the hydride transfer reaction catalyzed by dihydrofolate reductase based on a mapped system-harmonic bath model.
P2860

Quantum rate dynamics for proton transfer reactions in condensed phase: the exact hierarchical equations of motion approach.

Item
http://www.wikidata.org/entity/Q51841093
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2009 nî lūn-bûn
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name
Quantum rate dynamics for prot ...... equations of motion approach.
@en
Quantum rate dynamics for prot ...... equations of motion approach.
@nl
type
label
Quantum rate dynamics for prot ...... equations of motion approach.
@en
Quantum rate dynamics for prot ...... equations of motion approach.
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prefLabel
Quantum rate dynamics for prot ...... equations of motion approach.
@en
Quantum rate dynamics for prot ...... equations of motion approach.
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P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P698
P356
P1433
P1476
Quantum rate dynamics for prot ...... equations of motion approach.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P698