Adaptive time steps in trajectory surface hopping simulations.

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Excited-State Decay Paths in Tetraphenylethene Derivatives.A surface-hopping method for semiclassical calculations of cross sections for radiative association with electronic transitions.

P2860

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P2860

Adaptive time steps in trajectory surface hopping simulations.

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http://www.wikidata.org/entity/Q54780885

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2016 nî lūn-bûn

@nan

2016年の論文

@ja

2016年学术文章

@wuu

2016年学术文章

@zh-cn

2016年学术文章

@zh-hans

2016年学术文章

@zh-my

2016年学术文章

@zh-sg

2016年學術文章

@yue

2016年學術文章

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2016年學術文章

@zh-hant

name

Adaptive time steps in trajectory surface hopping simulations.

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Adaptive time steps in trajectory surface hopping simulations.

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Item

label

Adaptive time steps in trajectory surface hopping simulations.

@en

Adaptive time steps in trajectory surface hopping simulations.

@nl

prefLabel

Adaptive time steps in trajectory surface hopping simulations.

@en

Adaptive time steps in trajectory surface hopping simulations.

@nl

P1476

Adaptive time steps in trajectory surface hopping simulations.

@en

P2093

Lasse Spörkel

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P2860

Time-domain ab initio modeling of photoinduced dynamics at nanoscale interfaces.

Photoswitching of salicylidene methylamine: a theoretical photodynamics study.

Computational Design of a Family of Light-Driven Rotary Molecular Motors with Improved Quantum Efficiency.

Trajectory-based nonadiabatic dynamics with time-dependent density functional theory.

Ab initio non-adiabatic molecular dynamics.

Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks for Ground-State Properties.

Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Theory, Implementation, and Parameters.

Flexible Surface Hopping Approach to Model the Crossover from Hopping to Band-like Transport in Organic Crystals.

Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules.

Intramolecular hydrogen bonding plays a crucial role in the photophysics and photochemistry of the GFP chromophore.

P304

194108

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scholarly article

P356

10.1063/1.4948956

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English

P433

http://www.w3.org/2001/XMLSchema#string

P478

144

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P50

Walter Thiel

P577

2016-05-01T00:00:00Z

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P5875

303380192

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27208937

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Adaptive time steps in trajectory surface hopping simulations.

about

P2860

P2860

Adaptive time steps in trajectory surface hopping simulations.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P5875

P698

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P5875

P698