Estimation of C−C Bond Dissociation Enthalpies of Large Aromatic Hydrocarbon Compounds Using DFT Methods-Reference-Cited by-同舟云学术

Estimation of C−C Bond Dissociation Enthalpies of Large Aromatic Hydrocarbon Compounds Using DFT Methods

Published:2002-07-03 Issue:31 Volume:106 Page:7184-7189
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Yao Xiao-Qian¹,Hou Xin-Juan¹,Wu Gui-Sheng¹,Xu Yuan-Yuan¹,Xiang Hong-Wei¹,Jiao Haijun¹,Li Yong-Wang¹

Affiliation:

1. The State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan, People's Republic of China, 030001, and Institut für Organische Katalyseforschung an der Universität Rostock e.V., Buchbinderstrasse 5-6, 18055 Rostock, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp020607x

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4. Thermal cleavage of chemical bonds in selected coal-related structures

5. Very-low-pressure pyrolysis of ethylbenzene, isopropylbenzene, andtert-butylbenzene

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