Generalized trajectory surface-hopping method for internal conversion and intersystem crossing.
about
Excited-State Proton-Transfer-Induced Trapping Enhances the Fluorescence Emission of a Locked GFP Chromophore.Benzophenone Ultrafast Triplet Population: Revisiting the Kinetic Model by Surface-Hopping Dynamics.Restoring electronic coherence/decoherence for a trajectory-based nonadiabatic molecular dynamics.Intersystem crossing-branched excited-state intramolecular proton transfer for o-nitrophenol: An ab initio on-the-fly nonadiabatic molecular dynamic simulation.Photodynamics of oxybenzone sunscreen: Nonadiabatic dynamics simulations.Communication: GAIMS--Generalized Ab Initio Multiple Spawning for both internal conversion and intersystem crossing processes.Accuracy of trajectory surface-hopping methods: Test for a two-dimensional model of the photodissociation of phenol.A surface-hopping method for semiclassical calculations of cross sections for radiative association with electronic transitions.The excited-state decay mechanism of 2,4-dithiothymine in the gas phase, microsolvated surroundings, and aqueous solution.Surface hopping dynamics including intersystem crossing using the algebraic diagrammatic construction method.QM/MM nonadiabatic dynamics simulations on photoinduced Wolff rearrangements of 1,2,3-thiadiazole.The Mechanism of Ultrafast Intersystem Crossing in 2-Nitronaphthalene.Ab initio multiple spawning dynamics study of dimethylnitramine and dimethylnitramine-Fe complex to model their ultrafast nonadiabatic chemistry.Nonadiabatic dynamics with intersystem crossings: A time-dependent density functional theory implementation.Ab initio two-component Ehrenfest dynamics.Probing the π→π* photoisomerization mechanism of cis-azobenzene by multi-state ab initio on-the-fly trajectory dynamics simulation.Insight into the light-induced spin crossover of [Fe(bpy)3](2+) in aqueous solution from molecular dynamics simulation of d-d excited states.Surface hopping investigation of benzophenone excited state dynamics.
P2860
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P2860
Generalized trajectory surface-hopping method for internal conversion and intersystem crossing.
description
2014 nî lūn-bûn
@nan
2014年の論文
@ja
2014年学术文章
@wuu
2014年学术文章
@zh
2014年学术文章
@zh-cn
2014年学术文章
@zh-hans
2014年学术文章
@zh-my
2014年学术文章
@zh-sg
2014年學術文章
@yue
2014年學術文章
@zh-hant
name
Generalized trajectory surface ...... sion and intersystem crossing.
@en
Generalized trajectory surface ...... sion and intersystem crossing.
@nl
type
label
Generalized trajectory surface ...... sion and intersystem crossing.
@en
Generalized trajectory surface ...... sion and intersystem crossing.
@nl
prefLabel
Generalized trajectory surface ...... sion and intersystem crossing.
@en
Generalized trajectory surface ...... sion and intersystem crossing.
@nl
P2860
P356
P1476
Generalized trajectory surface ...... sion and intersystem crossing.
@en
P2860
P304
P356
10.1063/1.4894849
P407
P577
2014-09-01T00:00:00Z