Selectivity and Theoretical Studies of Cycloaddition 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 2026 | Viewed by 1114
Special Issue Editors
Interests: cycloaddition reactions; nitrocompounds; cycloaddition; heterocycles; reaction mechanisms; organic reactivity; DFT calculations
Special Issues, Collections and Topics in MDPI journals
Interests: cycloaddition reactions; heterocycles; nitrocompounds; reaction mechanisms; regio- and stereoselectivity; DFT calculations; molecular electron density theory (MEDT)
Special Issues, Collections and Topics in MDPI journals
Interests: synthesis; organic chemistry; environmental science; catalysis; cycloaddition reactions
Special Issue Information
Dear Colleagues,
Cycloaddition reactions represent a cornerstone in synthetic organic chemistry, enabling the efficient construction of cyclic frameworks with full atomic economy. This Special Issue focuses on the selectivity (chemo-, regio-, and stereoselectivity) and theoretical studies of cycloaddition reactions, highlighting recent advances in mechanistic insights, computational modeling, and predictive design. Contributions will explore the interplay between electronic, steric, and catalytic control in governing reaction pathways, as well as the application of modern quantum chemical methods (e.g., DFT, MD, and machine learning) to elucidate pseudocyclic processes. Topics include [2+1], [2+2], [3+2], [4+2], [4+3], and higher-order cycloadditions, asymmetric variants, and emerging catalytic systems. By integrating experimental and theoretical perspectives, this Special Issue provides a comprehensive resource for researchers pursuing precision in carbo- and heterocyclic molecule synthesis.
Prof. Dr. Radomir Jasiński
Dr. Agnieszka Łapczuk
Dr. Ewa Dresler
Guest Editors
Manuscript Submission Information
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Keywords
- cycloaddition
- selectivity
- density functional theory (DFT)
- reaction mechanisms
- catalysis
- stereocontrol
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