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)]

2006 ◽  
Vol 125 (7) ◽  
pp. 079901 ◽  
Author(s):  
D. I. Doughan ◽  
L. M. Raff ◽  
M. G. Rockley ◽  
M. Hagan ◽  
Paras M. Agrawal ◽  
...  
Keyword(s):  
Neural Networks ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Chem Phys ◽  
Vibrationally Excited ◽  
Vinyl Bromide ◽  
Dissociation Dynamics ◽  
Feed Forward Neural Networks

A neural network potential energy surface for the F + H2O ↔ HF + OH reaction and quantum dynamics study of isotopic effect

2021 ◽  
Author(s):  
Xiaoren Zhang ◽  
Jun Chen ◽  
Xin Xu ◽  
Shu Liu ◽  
Dong H. Zhang
Keyword(s):  
Neural Network ◽  
Neural Networks ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Quantum Dynamics ◽  
Energy Surface ◽  
Isotopic Effect ◽  
The Neural Networks

A global potential energy surface for the F + H2O ↔ HF + OH reaction has been constructed using the neural networks method based on ~24,000 ab initio energies calculated...

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