Neural network based coupled diabatic potential energy surfaces for reactive scattering.

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Construction of diabatic energy surfaces for LiFH with artificial neural networks.A neural-network potential through charge equilibration for WS2: From clusters to sheets.

P2860

Q47301817-21E83BD7-8C5B-4283-B219-53A901CD0037 Q48045574-A990C886-026B-421E-BA30-85385F7E090B

P2860

Neural network based coupled diabatic potential energy surfaces for reactive scattering.

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2017 nî lūn-bûn

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2017年の論文

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@yue

2017年論文

@zh-hant

2017年論文

@zh-hk

2017年論文

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@zh-tw

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Neural network based coupled diabatic potential energy surfaces for reactive scattering.

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Neural network based coupled diabatic potential energy surfaces for reactive scattering.

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Neural network based coupled diabatic potential energy surfaces for reactive scattering.

@en

P1476

Neural network based coupled diabatic potential energy surfaces for reactive scattering

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P2093

Tim Lenzen

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P2860

Learning representations by back-propagating errors

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.

Dynamics of the O(3P) + CHD3(vCH = 0,1) reactions on an accurate ab initio potential energy surface.

High-dimensional ab initio potential energy surfaces for reaction dynamics calculations.

Recent Advances in Quantum Dynamics of Bimolecular Reactions.

A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system.

Full-dimensional diabatic potential energy surfaces including dissociation: the ²E″ state of NO₃.

Coupled potential energy surface for the F(2P)+CH4→HF+CH3 entrance channel and quantum dynamics of the CH4·F- photodetachment.

Photodissociation dynamics of phenol: multistate trajectory simulations including tunneling.

Permutation invariant potential energy surfaces for polyatomic reactions using atomistic neural networks.

P304

084105

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P31

scholarly article

P356

10.1063/1.4997995

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P407

English

P433

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

P478

147

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P50

Uwe Manthe

P577

2017-08-01T00:00:00Z

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P698

28863526

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Neural network based coupled diabatic potential energy surfaces for reactive scattering.

about

P2860

P2860

Neural network based coupled diabatic potential energy surfaces for reactive scattering.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698