Symmetry and Asymmetry in Theoretical Chemistry
A special issue of Symmetry (ISSN 2073-8994). This special issue belongs to the section "Chemistry: Symmetry/Asymmetry".
Deadline for manuscript submissions: 31 March 2026 | Viewed by 11
Special Issue Editors
Interests: colloidal systems; molecular simulation; statistical mechanics; equation of state
Interests: bioinformatics; data mining; molecular docking; virtual screening; molecular dynamics simulation
Special Issue Information
Dear Colleagues,
Symmetry plays a fundamental role not only in art but also in nature, influencing countless phenomena at both macroscopic and microscopic levels. In quantum chemistry, symmetry leads to unique behaviors in molecules. A particularly important aspect arises when the symmetry operator commutes with the Hamiltonian, ensuring that the symmetry operation does not alter the system's energy and that the system remains invariant under the transformation.
The symmetry of molecules has a significant impact on both reaction mechanisms and material properties, affecting processes in the bulk phase as well as at surfaces. Symmetry considerations are crucial in understanding how molecular structure influences the course of chemical reactions, catalytic activity, and adsorption behavior. Moreover, molecular symmetry has a significant impact on spectroscopic properties, including selection rules and spectral patterns, which are crucial for interpreting infrared, Raman, and electronic spectra.
This Special Issue, “Symmetry and Asymmetry in Theoretical Chemistry”, focuses on recent advances in the study of symmetry and asymmetry across all areas of theoretical chemistry, emphasizing their applications and effects on chemical systems. We welcome original research articles and reviews covering a broad spectrum of topics related to our field.
We invite submissions of original theoretical research and review articles that explore various aspects of symmetry and asymmetry in chemical compounds and processes. Relevant topics include, but are not limited to, the following areas:
- Band structure;
- Molecular geometry;
- Theoretical study of spectroscopy;
- Reaction mechanism;
- Catalysts.
Prof. Dr. Amin Bakhshandeh
Dr. Karina dos Santos Machado
Dr. Emerson Gustavo de Souza Luna
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. Symmetry 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 2400 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.
Keywords
- band structure
- molecular geometry
- theoretical study of spectroscopy
- reaction mechanism
- catalysts
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