Feature Review Papers in Section Computational Catalysis

A special issue of Catalysts (ISSN 2073-4344). This special issue belongs to the section "Computational Catalysis".

Deadline for manuscript submissions: 30 September 2024 | Viewed by 178

Special Issue Editors


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Guest Editor
Department of Chemical Sciences, University of Padova, Via Marzolo, 1, 35131 Padova, Italy
Interests: computational chemistry; physical chemistry; catalysis; molecular design
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Guest Editor
Institute of Computational Chemistry and Catalysis (IQCC), Universitat de Girona, Campus de Montilivi sn, 17071 Girona, Spain
Interests: multicatalysis; hydrogenation; green Chemistry; DFT calculations; organometallic chemistry
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

This Special Issue “Feature Review Papers in Section Computational Catalysis” aims to attract comprehensive reviews from all over the world that relate to computational-based investigations within the broad field of catalysis (https://www.mdpi.com/journal/catalysts/sections/computational_catalysis). This includes the development of new computational techniques and screening methods, as well as the rigorous application of current computational tools for discovering new catalysts, reaction mechanisms, or catalytic processes.

The computational techniques discussed in this section are expected to range from atomistic-level investigations using quantum mechanical approaches all the way to larger-scale studies of reactor modeling. With a focus on catalysis, these computational contributions are expected to provide new insights into to our theoretical or practical understanding of catalytic phenomena.

We invite authors to submit high-quality reviews that will contribute to this area. All fields of catalysis which are driven by a substantial computational component will be considered, including but not limited to: heterogeneous catalysis, homogeneous catalysis, organocatalysis, biocatalysis, photocatalysis, electrocatalysis, and environmental catalysis.

Dr. Laura Orian
Dr. Albert Poater
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Catalysts is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Published Papers

This special issue is now open for submission.
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