(Q51621297)

English

Cis-->trans, trans-->cis isomerizations and N-O bond dissociation of nitrous acid (HONO) on an ab initio potential surface obtained by novelty sampling and feed-forward neural network fitting.

scientific article published in May 2008

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scholarly article

1 reference

Europe PubMed Central

8 April 2018

http://europepmc.org/abstract/MED/18500868

Cis-->trans, trans-->cis isomerizations and N-O bond dissociation of nitrous acid (HONO) on an ab initio potential surface obtained by novelty sampling and feed-forward neural network fitting. (English)

1 reference

Europe PubMed Central

8 April 2018

http://europepmc.org/abstract/MED/18500868

author name string

Hung M Le

1

1 reference

Europe PubMed Central

8 April 2018

http://europepmc.org/abstract/MED/18500868

Lionel M Raff

2

1 reference

Europe PubMed Central

8 April 2018

http://europepmc.org/abstract/MED/18500868

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publication date

1 May 2008

1 reference

Europe PubMed Central

8 April 2018

http://europepmc.org/abstract/MED/18500868

Journal of Chemical Physics

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Europe PubMed Central

8 April 2018

http://europepmc.org/abstract/MED/18500868

128

1 reference

Europe PubMed Central

8 April 2018

http://europepmc.org/abstract/MED/18500868

19

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Europe PubMed Central

8 April 2018

http://europepmc.org/abstract/MED/18500868

194310

1 reference

Europe PubMed Central

8 April 2018

http://europepmc.org/abstract/MED/18500868

Theoretical investigation of the dissociation dynamics of vibrationally excited vinyl bromide on an ab initio potential-energy surface obtained using modified novelty sampling and feed-forward neural networks

1 reference

https://api.crossref.org/works/10.1063%2F1.2918503

21 January 2018

Theoretical investigation of the dissociation dynamics of vibrationally excited vinyl bromide on an ab initio potential-energy surface obtained using modified novelty sampling and feedforward neural networks. II. Numerical application of the method

1 reference

https://api.crossref.org/works/10.1063%2F1.2918503

21 January 2018

Interpolating moving least-squares methods for fitting potential energy surfaces: computing high-density potential energy surface data from low-density ab initio data points

1 reference

https://api.crossref.org/works/10.1063%2F1.2918503

21 January 2018

Molecular dynamics investigations of the dissociation of SiO2 on an ab initio potential energy surface obtained using neural network methods.

1 reference

https://api.crossref.org/works/10.1063%2F1.2918503

21 January 2018

Note on an Approximation Treatment for Many-Electron Systems

1 reference

https://api.crossref.org/works/10.1063%2F1.2918503

21 January 2018

Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules

1 reference

https://api.crossref.org/works/10.1063%2F1.2918503

21 January 2018

Ab initio potential-energy surfaces for complex, multichannel systems using modified novelty sampling and feedforward neural networks

1 reference

https://api.crossref.org/works/10.1063%2F1.2918503

21 January 2018

Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18

1 reference

https://api.crossref.org/works/10.1063%2F1.2918503

21 January 2018

Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions

1 reference

https://api.crossref.org/works/10.1063%2F1.2918503

21 January 2018

Identifiers

10.1063/1.2918503

1 reference

Europe PubMed Central

8 April 2018

http://europepmc.org/abstract/MED/18500868

1 reference

Europe PubMed Central

8 April 2018

http://europepmc.org/abstract/MED/18500868

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