Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules.
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Carbon nanorings with inserted acenes: breaking symmetry in excited state dynamics.Shishiodoshi unidirectional energy transfer mechanism in phenylene ethynylene dendrimers.Non-radiative relaxation of photoexcited chlorophylls: theoretical and experimental studyPhonon bottleneck and long-lived excited states in π-conjugated pyrene hoop.Efficient and Flexible Computation of Many-Electron Wave Function Overlaps.Mixed quantum-classical dynamics for charge transport in organics.Mixed quantum-classical equilibrium in global flux surface hopping.Detailed balance, internal consistency, and energy conservation in fragment orbital-based surface hopping.The best of both Reps-Diabatized Gaussians on adiabatic surfaces.Nonadiabatic excited-state molecular dynamics: treatment of electronic decoherence.Photoinduced dynamics in cycloparaphenylenes: planarization, electron-phonon coupling, localization and intra-ring migration of the electronic excitation.Coherence penalty functional: a simple method for adding decoherence in Ehrenfest dynamics.Ultrafast electronic energy relaxation in a conjugated dendrimer leading to inter-branch energy redistribution.Non-adiabatic excited state molecular dynamics of phenylene ethynylene dendrimer using a multiconfigurational Ehrenfest approach.Conformational disorder in energy transfer: beyond Förster theory.Adaptive time steps in trajectory surface hopping simulations.Coherent exciton-vibrational dynamics and energy transfer in conjugated organics.
P2860
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P2860
Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules.
description
2012 nî lūn-bûn
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2012年の論文
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2012年学术文章
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2012年学术文章
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2012年学术文章
@zh-hans
2012年学术文章
@zh-my
2012年学术文章
@zh-sg
2012年學術文章
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2012年學術文章
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2012年學術文章
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name
Identification of unavoided cr ...... lyatomic conjugated molecules.
@en
Identification of unavoided cr ...... lyatomic conjugated molecules.
@nl
type
label
Identification of unavoided cr ...... lyatomic conjugated molecules.
@en
Identification of unavoided cr ...... lyatomic conjugated molecules.
@nl
prefLabel
Identification of unavoided cr ...... lyatomic conjugated molecules.
@en
Identification of unavoided cr ...... lyatomic conjugated molecules.
@nl
P2093
P2860
P356
P1476
Identification of unavoided cr ...... olyatomic conjugated molecules
@en
P2093
Adrian E Roitberg
Sebastian Fernandez-Alberti
Tammie Nelson
P2860
P304
P356
10.1063/1.4732536
P407
P577
2012-07-01T00:00:00Z