Dear Colleagues,

The questions of chemical bonding in molecular crystals are the essence of material science and underlie modern works in the field of organic synthesis, catalysis, crystal engineering, and biological and industrial applications. Deep consideration of all types of chemical bonds and non-covalent interactions has already resulted in giant leaps in all directions of science and technology and will undoubtedly lead to further insights and open new horizons of hypothesis-driven synthesis and crystallization approaches.

Thus, we encourage researchers to submit papers belonging to fundamental studies or discussing application-driven cases devoted to the nature of chemical bonding. The manuscripts can be devoted but not limited to the following aspects:

• Experimental, theoretical, or combined perspective views on chemical bonding in organic and organometallic crystals: from covalent and coordination bonds to all types of non-covalent bonds;
• the exploitation of all kinds of experimental techniques (NMR, IR, Raman, UV-vis spectroscopy, etc.) for characterization of the energy and properties of a chemical bond;
• Examples of joint consideration of experimental diffraction data and quantum-chemical calculations for ambient conditions and under pressure, for ground and excited states;
• Studies dealing with experimentally observed and theoretically calculated electron density and quantitative descriptors based on it;
• Insights and strategies into supramolecular organization in chemical, biological, and crystal engineering applications.

For this Special Issue, we invite scientists working in different experimental and theoretical fields to contribute their results in order to achieve a versatile view on the questions of chemical bonding in molecular crystals.

Prof. Dr. Ekaterina V. Bartashevich
Dr. Irina Yushina
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. Molecules is an international peer-reviewed open access semimonthly 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 2700 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.

• Covalent bond
• Coordination bond
• Non-covalent bond
• Molecular crystals
• Crystal engineering
• Hydrogen bond
• Halogen bond
• Chalcogen bond
• Halogen bond
• Pnictogen bond
• Tetrel bond
• Supramolecular chemistry