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-Reference-Cited by-同舟云学术

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

Published:2007-10-07 Issue:13 Volume:127 Page:134105
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Malshe M.,Raff L. M.,Rockley M. G.,Hagan M.,Agrawal Paras M.,Komanduri R.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.2768948

Reference26 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. Molecular potential energy surfaces by interpolation

4. Convergence of molecular potential energy surfaces by interpolation: Application to the OH+H2→H2O+H reaction

5. Potential energy surface for the reactions BeH2+HBeH+H2

Cited by 55 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Transition1x - a dataset for building generalizable reactive machine learning potentials;Scientific Data;2022-12-24

2. NeuralNEB—neural networks can find reaction paths fast;Machine Learning: Science and Technology;2022-12-01

3. Dissociation of hydrogen peroxide in water and methanol through a biased molecular dynamics investigation;Journal of Computational Chemistry;2021-05-11

4. Neural Network Potential Energy Surfaces for Small Molecules and Reactions;Chemical Reviews;2020-10-06

5. Hierarchical machine learning of potential energy surfaces;The Journal of Chemical Physics;2020-05-29