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Special Issue "Intermolecular Forces: From Atoms and Molecules to Nanostructures"

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Computational and Theoretical Chemistry".

Deadline for manuscript submissions: 30 June 2021.

Special Issue Editors

Prof. Dr. Jorge M. C. Marques
Guest Editor
Universidade de Coimbra, Centro de QuÍmica de Coimbra, Coimbra, Portugal
Interests: development of efficient global optimization algorithms; physical chemistry; microsolvation; atomic and molecular clusters; colloidal systems; structure and intermolecular forces
Prof. Dr. Frederico Vasconcellos Prudente
Guest Editor
Instituto de Física, Universidade Federal da Bahia, 40170-115 Salvador-Bahia, Brazil
Interests: excitation, dissociation and ionization of molecules of biological interest in gas or condensed phase by interaction with photons, electrons, and atoms; confined quantum systems and information theory; atomic and molecular clusters: structural, electronic, and thermodynamic properties; intra- and intermolecular interactions
Prof. Dr. Fernando Pirani
Guest Editor
Dipartimento di Chimica, Biologia e Biotecnologie, Università di Perugia, 06123 Perugia, Italy
Interests: nature, role, and modeling of intermolecular forces; weak hydrogen and halogen bond; atomic and molecular collisions; gas-phase molecular beam experiments, stereo-dynamics of chemi-ionization reactions

Special Issue Information

Dear Colleagues,

Intermolecular forces are at the core of the building up process of the formation of complex chemical structures. The aim of this Special Issue is to underline the relationship between intermolecular forces and other properties across different scales. The characterization of the different types of intermolecular forces is important in order to assess their role in the formation of simple gaseous adducts, clusters, and nanostructures. This constitutes a challenge for both experimentalists and theoreticians that will open new avenues in the study of increasingly complex systems.

This Special Issue aims to contribute to the awareness of the state-of-the-art research on intermolecular forces. Accordingly, it is expected to publish work that falls within the following lines of research and related topics:

- Theoretical methods and experimental techniques to evaluate molecular interactions;

- Potential models for describing intermolecular interactions;

- Fingerprints of hydrogen bonding and van der Waals interactions;

- Cooperative and selective processes involving inter- and intramolecular interactions;

- Intermolecular forces, microscopic and macroscopic properties;

- Microsolvation and the formation of clusters;

- Highlighting the role of intermolecular forces in molecular self-assembly to build nanostructures.

Prof. Dr. Jorge M. C. Marques
Prof. Dr. Frederico Vasconcellos Prudente
Prof. Dr. Fernando Pirani
Guest Editors

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 papers will be 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 2000 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.


  • simple neutral and ionic aggregates
  • long-range interactions
  • potential energy functions
  • nanoclusters
  • spectroscopy
  • complex systems
  • solvation
  • thermodynamics
  • molecular assembly

Published Papers

This special issue is now open for submission.
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