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Fundamental Concepts and Recent Developments in Chemical Bonding

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Cross-Field Chemistry".

Deadline for manuscript submissions: 31 October 2024 | Viewed by 107

Special Issue Editor

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Guest Editor
School of Medicine, The Chinese University of Hong Kong, Longgang District, Shenzhen 518172, China
Interests: computational chemistry; chemical reactions; molecular interaction; chemical bonding
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Special Issue Information

Dear Colleagues,

Chemical bonding serves as the cornerstone for the diverse array of unique chemical properties exhibited by molecules. Thus, the unraveling of the intricacies of chemical bonding holds both profound theoretical importance and practical relevance, offering opportunities to unleash the latent capabilities of chemical entities. This Special Issue is devoted to sharing recent endeavors exploring chemical bonding from diverse viewpoints.

Prof. Dr. Hajime Hirao
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at 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.


  • conventional bonding
  • unconventional bonding
  • valence bond theory
  • molecular orbital theory
  • energy decomposition analysis
  • spin
  • aromaticity
  • nonbonded interactions

Published Papers

This special issue is now open for submission.
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