Molecular Dynamics Investigations of Ozone on an Ab Initio Potential Energy Surface with the Utilization of Pattern-Recognition Neural Network for Accurate Determination of Product Formation
Author:
Affiliation:
1. Faculty of Materials Science, College of Science, Vietnam National University, Ho Chi Minh City, Vietnam 750000
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp206531s
Reference50 articles.
1. The ozone molecule: infrared and microwave spectroscopy
2. The ozone molecule: electronic spectroscopy
3. Coriolis interaction and anharmonic potential function of ozone from the microwave spectra in the excited vibrational states
4. Simple theory of diffuse structure in continuous ultraviolet spectra of polyatomic molecules. III. Application to the Wulf–Chappuis band system of ozone
5. Investigation of the role of triplet states in the Wulf bands of ozone
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