Accuracy of trajectory surface-hopping methods: Test for a two-dimensional model of the photodissociation of phenol.

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Accuracy of trajectory surface-hopping methods: Test for a two-dimensional model of the photodissociation of phenol.

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2017 nî lūn-bûn

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2017年学术文章

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Accuracy of trajectory surface ...... e photodissociation of phenol.

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Accuracy of trajectory surface ...... e photodissociation of phenol.

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Accuracy of trajectory surface ...... e photodissociation of phenol.

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Accuracy of trajectory surface ...... e photodissociation of phenol.

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Accuracy of trajectory surface ...... e photodissociation of phenol.

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Accuracy of trajectory surface ...... e photodissociation of phenol.

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P1476

Accuracy of trajectory surface ...... e photodissociation of phenol.

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P2093

Weiwei Xie

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

Wolfgang Domcke

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P2860

On the Quantum Correction For Thermodynamic Equilibrium

Non-Adiabatic Crossing of Energy Levels

Fitting coupled potential energy surfaces for large systems: method and construction of a 3-state representation for phenol photodissociation in the full 33 internal degrees of freedom using multireference configuration interaction determined data.

On the elimination of the electronic structure bottleneck in on the fly nonadiabatic dynamics for small to moderate sized (10-15 atom) molecules using fit diabatic representations based solely on ab initio electronic structure data: The photodissoci

Time-dependent quantum wave-packet description of the 1pi sigma* photochemistry of phenol.

Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases.

Direct Observation of Hydrogen Tunneling Dynamics in Photoexcited Phenol.

Exploring nuclear motion through conical intersections in the UV photodissociation of phenols and thiophenol

Role of conical intersections in molecular spectroscopy and photoinduced chemical dynamics.

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

P304

184114

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P31

scholarly article

P356

10.1063/1.5006788

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P407

English

P433

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P478

147

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P577

2017-11-01T00:00:00Z

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P698

29141421

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