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Mechanisms of Organic Reactions

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Computational and Theoretical Chemistry".

Deadline for manuscript submissions: 31 May 2024 | Viewed by 337

Special Issue Editors

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Guest Editor
Department of Chemical-Technological Sciences, State University of Novi Pazar, Novi Pazar, Serbia
Interests: theoretical organic chemistry; antioxidative activity; thermodynamic properties; kinetic properties; molecular modelling; DFT calculations; molecular docking

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Guest Editor
Department for Natural and Mathematical Sciences, Institute for Information Technologies Kragujevac, University of Kragujevac, Jovana Cvijića bb, 34000 Kragujevac, Serbia
Interests: organic synthesis; antioxidative activity; coumarin derivatives; molecular modelling; transition metal complexes; DFT

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Guest Editor
Department of Natural and Mathematical Sciences, Institute for Information Technologies, University of Kragujevac, Jovana Cvijića bb, 34000 Kragujevac, Serbia
Interests: thermochemistry; theoretical chemistry; organic chemistry
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Special Issue Information

Dear Colleagues,

Determining the most probable reaction mechanism means assuming and determining the most efficient step-by-step path by which a chemical compound is transformed into another chemical compound. Detailed knowledge of the reaction mechanisms allows us to predict the reaction course and the final outcome of the reaction, as well as to manage the reaction process. The fact that there is an impetus to discover the most probable reaction path means that it is possible that the reaction follows more than one reaction pathway. During the chemical transformation, the compound can gradually change to its final form, passing through a series of transitional states and intermediate species, whose existence, structure and stability are often not easily determined and proven. Even a small change in the reaction conditions can lead to a change in the dominant reaction pathway, or it can completely change the course of the reaction. All this makes finding the operative mechanism of a chemical reaction a kind of challenge despite the approach that is taken to determine it; whether on the basis of kinetic or thermodynamic parameters, or whether the reaction pathway is determined from a theoretical or from an experimental aspect.

Dr. Svetlana R. Jeremić
Prof. Dr. Zoran Markovic
Dr. Dejan Milenković
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at 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. Molecules is an international peer-reviewed open access semimonthly 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.


  • chemical transformation
  • reaction mechanism
  • kinetic or thermodynamic parameters
  • theoretical or experimental aspect

Published Papers

This special issue is now open for submission.
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