Theoretical studies on triplet-state driven dissociation of formaldehyde by quasi-classical molecular dynamics simulation on machine-learning potential energy surface-Reference-Cited by-同舟云学术

Theoretical studies on triplet-state driven dissociation of formaldehyde by quasi-classical molecular dynamics simulation on machine-learning potential energy surface

Published:2021-12-07 Issue:21 Volume:155 Page:214105
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Lin Shichen¹²,Peng Daoling¹²,Yang Weitao³^ORCID,Gu Feng Long¹²^ORCID,Lan Zhenggang¹⁴^ORCID

Affiliation:

1. Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, South China Normal University, Guangzhou 510006, People's Republic of China

2. School of Chemistry, South China Normal University, Guangzhou 510006, People’s Republic of China

3. Department of Chemistry, Duke University, Durham, North Carolina 27708, USA

4. Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety; SCNU Environmental Research Institute; School of Environment, South China Normal University, Guangzhou 510006, People’s Republic of China

Funder

National Natural Science Foundation of China

National Key Research and Development Program of China

National Institute of General Medical Sciences

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0067176

Reference146 articles.

1. Recent advances in VOC elimination by catalytic oxidation technology onto various nanoparticles catalysts: a critical review