Special Issue "Theoretical Investigation on Non-covalent Interactions"
Deadline for manuscript submissions: closed (25 May 2023) | Viewed by 23244
2. Infochemistry Scientific Center, ITMO University, Lomonosova st., 9, 191002 Saint Petersburg, Russia
Interests: non-covalent interactions; computational chemistry; computer modelling; reaction mechanisms; data science; artificial intelligence
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The problem of non-covalent interactions in crystals is one of the paradigms for computer modelling and theoretical studies in chemistry and related fields of knowledge (crystallography, biology, physics, mathematics, and computer science). Modern methods of data science, artificial intelligence, and quantum and computational chemistry are widely used for the investigation of nature and various properties of different non-covalent interactions (hydrogen, halogen, chalcogen, pnictogen, tetrel, and semi-coordination bonds; agosic and anagosic interactions; stacking, anion/cation–π interactions; metallophilic interactions, etc.).
Our Special Issue welcomes contributions from researchers focused on this subject to highlight and overview modern trends and attract the attention of the scientific community to the problem of theoretical investigation on non-covalent interactions.
All types of papers (reviews, full papers, communications, technical notes, highlights, etc.) are welcome for consideration.
Dr. Alexander S. Novikov
Prof. Dr. Longjiu Cheng
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. Crystals 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 2600 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.
- non-covalent interactions
- computer modeling
- computational chemistry
- data science
- crystal engineering