Can Small Polyaromatics Describe Their Larger Counterparts...

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Journal of Physical Chemistry A 2020 / 11

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, Özlem, Schmitz, Gunnar, Hättig, Christof, Schmid, Rochus, Debiagi, Paulo, Hasse, Christian, Locaspi, Andrea, Faravelli, Tiziano
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Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/acs.jpca.0c07133
Date:
November, 2020
File:
PDF, 1.25 MB
2020
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