New theoretical insights into the reaction kinetics of toluene and hydroxyl radicals-Reference-Cited by-同舟云学术

New theoretical insights into the reaction kinetics of toluene and hydroxyl radicals

Author:

Wu Xiaoqing¹²³⁴⁵^ORCID,Huang Can⁶⁷⁸⁹,Niu Shiyao¹⁰¹¹¹²⁴¹³^ORCID,Zhang Feng⁵²³⁴^ORCID

Affiliation:

1. National Synchrotron Radiation Laboratory

2. University of Science and Technology of China

3. Hefei

4. P. R. China

5. Hefei National Laboratory for Physical Sciences at the Microscale

6. Chair of Technical Thermodynamics

7. RWTH Aachen University

8. 52062 Aachen

9. Germany

10. Science and Technology on Combustion and Explosion Laboratory

11. Xi'an Modern Chemistry Research Institute

12. Xi'an

13. School of Chemistry and Materials Science

Abstract

This work provides theoretical insights into the kinetics of toluene + OH, focusing on the anharmonic effect and the accuracy of barrier heights.

Funder

National Natural Science Foundation of China

National Basic Research Program of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference78 articles.

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