Theoretical Chemistry and Quantum Chemical Computation: New Perspectives on Symmetry and Asymmetry in Molecular Systems
A special issue of Symmetry (ISSN 2073-8994). This special issue belongs to the section "Chemistry: Symmetry/Asymmetry".
Deadline for manuscript submissions: 30 May 2026 | Viewed by 4
Special Issue Editors
Interests: hydrogen bonds; coordination chemistry; quantum-chemical calculations; non-covalent interactions
Interests: transition metal complexes; DFT; noncovalent interactions; DNA and protein binding affinity; spectroscopic characterization; antioxidants; free radicals
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Theoretical chemistry, supported by advanced quantum chemical methods, is fundamental to understanding molecular structure, chemical reactivity, and the intricate behavior of molecules. These tools provide crucial insights into the principles governing symmetry and asymmetry in chemical systems.
For this Special Issue of Symmetry, titled “Theoretical Chemistry and Quantum Chemical Computation: New Perspectives on Symmetry and Asymmetry in Molecular Systems”, we welcome original research exploring symmetry-related aspects of molecular structure, electronic properties, and reactivity. Topics include asymmetric synthesis, chiral catalysts, enantiomer separation, X-ray crystallography, molecular clusters, coordination chemistry, and related fields.
We encourage you to contribute and share your findings in this innovative field.
Dr. Jelena Živković
Dr. Dušan Dimić
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
- coordination chemistry
- asymmetric synthesis
- biocatalysts
- quantum chemistry calculations
- X-ray crystallography
- enantiomer recognition
- circular dichroism
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