Advances in Physical & Theoretical Chemistry with Symmetry/Asymmetry

Dear Colleagues,

Symmetry offers a fundamental framework for classifying and understanding physical systems, serving as a cornerstone in both theoretical and physical chemistry. In theoretical chemistry, principles of symmetry are essential for elucidating the electronic structure of molecules and solids, with critical applications in orbital classification, predicting spectroscopic activity, and streamlining computational methods. In physical chemistry, symmetry links theory to macroscopic observables, governing phenomena such as entropy via molecular symmetry numbers, phase transitions, kinetic pathways, and spectral interpretations.

Asymmetry, particularly chirality, unveils the complex phenomena emerging from broken symmetry. Theoretically, it challenges us to explain how chiral electronic structures give rise to optical activity, such as circular dichroism and optical rotation. Physicochemically, asymmetry directly manifests in measurable properties, underpinning enantiomerism, bioactivity, asymmetric catalysis, functional self-assembly, and materials for nonlinear optics and piezoelectric applications.

This Special Issue aims to highlight the latest advances at the intersection of symmetry and asymmetry principles within physical and theoretical chemistry. It seeks to compile a collection of works that demonstrate how these fundamental and complementary concepts drive innovation in understanding chemical systems, from molecular and electronic scales to macroscopic properties and functions. This theme is central to the scope of journals dedicated to physical and theoretical chemistry, as it encompasses the core principles governing matter and energy at the molecular level.

In this Special Issue, original research articles and reviews are welcome. Research areas may include (but are not limited to) the following:

• Chirality and asymmetric synthesis in catalysis and drug design;
• Symmetry-breaking in biomolecular phase separation;
• Symmetry and allostery in multimeric protein complexes;
• Enantioselective recognition and binding mechanisms in pharmaceutical chemistry;
• Computational studies on electronic structure leveraging molecular symmetry;
• Modeling chiral biomaterial interfaces for biosensing and tissue engineering;
• The role of helical symmetry and dynamics in nucleic acid-protein recognition;
• The role of symmetry in chemical kinetics and transition state theory;
• Spectroscopic studies (IR, Raman, CD, etc.) guided by symmetry selection rules;
• Self-assembly of asymmetric molecules into functional supramolecular structures;
• Advanced characterization techniques for probing chiral and asymmetric systems;
• Application of group theory in predicting molecular properties and reaction mechanisms;
• Design and characterization of chiral materials for nonlinear optics and piezoelectric devices;
• Theoretical and experimental investigations of symmetry breaking in phase transitions and self-organization.

I look forward to receiving your contributions.

Dr. Liuhua Mu
Guest Editor

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 250 words) can be sent to the Editorial Office for assessment.

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.