Nonadiabatic dynamics and simulation of time resolved photoelectron spectra within time-dependent density functional theory: Ultrafast photoswitching in benzylideneaniline.
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Ultrafast hydrogen migration in acetylene cation driven by non-adiabatic effects.Photodissociation dynamics of propargylene, HCCCH.Time resolved photoelectron spectroscopy of thioflavin T photoisomerization: a simulation study.Trajectory-based nonadiabatic dynamics with time-dependent density functional theory.Ab initio non-adiabatic molecular dynamics.Efficient and Flexible Computation of Many-Electron Wave Function Overlaps.Ultrafast photodynamics of furan.Adsorption and switching properties of a N-benzylideneaniline based molecular switch on a Au(111) surface.Simulation of time resolved photoelectron spectra with Stieltjes imaging illustrated on ultrafast internal conversion in pyrazine.Local Control Theory in Trajectory Surface Hopping Dynamics Applied to the Excited-State Proton Transfer of 4-Hydroxyacridine.Nonadiabatic effects in electronic and nuclear dynamics.Surface hopping dynamics including intersystem crossing using the algebraic diagrammatic construction method.Femtosecond dynamics of the 2-methylallyl radical: A computational and experimental study.Mechanism of ultrafast non-reactive deactivation of the retinal chromophore in non-polar solvents.The mechanism of excimer formation: an experimental and theoretical study on the pyrene dimer.Optimizing conical intersections of solvated molecules: the combined spin-flip density functional theory/effective fragment potential method.Non-adiabatic excited state dynamics of riboflavin after photoexcitation.Communication: Unambiguous comparison of many-electron wavefunctions through their overlaps.Generalization of fewest-switches surface hopping for coherences.Time-resolved photoelectron imaging spectra from non-adiabatic molecular dynamics simulations.Time-dependent density functional theory excited state nonadiabatic dynamics combined with quantum mechanical/molecular mechanical approach: photodynamics of indole in water.Field-induced surface hopping method for probing transition state nonadiabatic dynamics of Ag3.Critical appraisal of excited state nonadiabatic dynamics simulations of 9H-adenine.Nonadiabatic coupling vectors within linear response time-dependent density functional theory.Photoinduced Ultrafast Wolff Rearrangement: A Non-Adiabatic Dynamics Perspective
P2860
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P2860
Nonadiabatic dynamics and simulation of time resolved photoelectron spectra within time-dependent density functional theory: Ultrafast photoswitching in benzylideneaniline.
description
2008 nî lūn-bûn
@nan
2008年の論文
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2008年学术文章
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2008年学术文章
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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
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2008年學術文章
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name
Nonadiabatic dynamics and simu ...... itching in benzylideneaniline.
@en
Nonadiabatic dynamics and simu ...... itching in benzylideneaniline.
@nl
type
label
Nonadiabatic dynamics and simu ...... itching in benzylideneaniline.
@en
Nonadiabatic dynamics and simu ...... itching in benzylideneaniline.
@nl
prefLabel
Nonadiabatic dynamics and simu ...... itching in benzylideneaniline.
@en
Nonadiabatic dynamics and simu ...... itching in benzylideneaniline.
@nl
P2860
P356
P1476
Nonadiabatic dynamics and simu ...... witching in benzylideneaniline
@en
P2093
Ute Werner
Vlasta Bonacić-Koutecký
P2860
P304
P356
10.1063/1.3000012
P407
P577
2008-10-01T00:00:00Z