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 December 2024 | Viewed by 786
Special Issue Editors
Interests: theoretical organic chemistry; antioxidative activity; thermodynamic properties; kinetic properties; molecular modelling; DFT calculations; molecular docking
Interests: organic synthesis; antioxidative activity; coumarin derivatives; molecular modelling; transition metal complexes; DFT
Interests: thermochemistry; theoretical chemistry; organic chemistry
Special Issues, Collections and Topics in MDPI journals
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
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Keywords
- chemical transformation
- reaction mechanism
- kinetic or thermodynamic parameters
- theoretical or experimental aspect
