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Can Small Polyaromatics Describe Their Larger Counterparts for Local Reactions? A Computational Study on the H-Abstraction Reaction by an H-Atom from Polyaromatics

Yönder, G. ; Schmitz, G. ; Hättig, C. ; Schmid, R. ; Debiagi, P. ; Hasse, C. ; Locaspi, A. ; Faravelli, T. (2020)
Can Small Polyaromatics Describe Their Larger Counterparts for Local Reactions? A Computational Study on the H-Abstraction Reaction by an H-Atom from Polyaromatics.
In: The Journal of Physical Chemistry A, 124 (46)
doi: 10.1021/acs.jpca.0c07133
Article, Bibliographie

Item Type: Article
Erschienen: 2020
Creators: Yönder, G. ; Schmitz, G. ; Hättig, C. ; Schmid, R. ; Debiagi, P. ; Hasse, C. ; Locaspi, A. ; Faravelli, T.
Type of entry: Bibliographie
Title: Can Small Polyaromatics Describe Their Larger Counterparts for Local Reactions? A Computational Study on the H-Abstraction Reaction by an H-Atom from Polyaromatics
Language: English
Date: 4 November 2020
Publisher: American Chemical Society
Journal or Publication Title: The Journal of Physical Chemistry A
Volume of the journal: 124
Issue Number: 46
DOI: 10.1021/acs.jpca.0c07133
Divisions: 16 Department of Mechanical Engineering
16 Department of Mechanical Engineering > Simulation of reactive Thermo-Fluid Systems (STFS)
Date Deposited: 07 Dec 2020 06:25
Last Modified: 07 Dec 2020 06:25
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