ReaxFF Force Field Development and Application for Toluene Adsorption on MnMOx (M = Cu, Fe, Ni) Catalysts-Reference-Cited by-同舟云学术

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ReaxFF Force Field Development and Application for Toluene Adsorption on MnMOx (M = Cu, Fe, Ni) Catalysts

Published:2021-12-09 Issue:50 Volume:125 Page:10649-10656
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Gomzi Vjeran¹^ORCID,Šapić Iva Movre²,Vidak Andrej²

Affiliation:

1. Department of Applied Physics, Faculty of Electrical Engineering and Computing, University of Zagreb, Unska 3, 10 000 Zagreb, Croatia

2. Department of Physics, Faculty of Chemical Engineering and Technology, University of Zagreb, Marulićev trg 19, 10 000 Zagreb, Croatia

Funder

Hrvatska Zaklada za Znanost

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c06939

Reference33 articles.

1. Experimental and theoretical (ReaxFF) study of manganese-based catalysts for low-temperature toluene oxidation

2. Metal Oxides in Heterogeneous Oxidation Catalysis: State of the Art and Challenges for a More Sustainable World

3. Catalytic removal of toluene over manganese oxide-based catalysts: a review

4. ReaxFF: A Reactive Force Field for Hydrocarbons

5. The ReaxFF reactive force-field: development, applications and future directions

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