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Locaspi, A. ; Debiagi, P. ; Pelucchi, M. ; Hasse, C. ; Faravelli, T. (2021):
A Predictive Physico-chemical Model of Biochar Oxidation.
In: Energy & Fuels, ACS Publications, ISSN 0887-0624,
DOI: 10.1021/acs.energyfuels.1c01559,
[Article]

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), pp. 9626-9637. American Chemical Society, ISSN 1089-5639,
DOI: 10.1021/acs.jpca.0c07133,
[Article]

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