Molecular Dynamics Investigation of the Bimolecular Reaction BeH + H2 → BeH2 + H on an ab Initio Potential-Energy Surface Obtained Using Neural Network Methods with Both Potential and Gradient Accuracy Determination-Reference-Cited by-同舟云学术

Molecular Dynamics Investigation of the Bimolecular Reaction BeH + H2 → BeH2 + H on an ab Initio Potential-Energy Surface Obtained Using Neural Network Methods with Both Potential and Gradient Accuracy Determination

Published:2009-10-23 Issue:1 Volume:114 Page:45-53
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Le Hung M.¹,Raff Lionel M.¹

Affiliation:

1. Chemistry Department, Oklahoma State University, Stillwater, Oklahoma 74078

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp907507z

Reference50 articles.

1. 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

2. Retraction: “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” [J. Chem. Phys. 124, 054321 (2006)]

3. 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

4. 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

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