Computational Bond Analysis

Dear Colleagues,

Interaction between atoms (i.e., chemical bond) is one of the basic concepts of chemistry. Despite its importance, at present we do not have a definitive and shared definition on what a chemical bond is/should be. Even if a chemical bond is not an observable, chemists often have built up heuristic models to describe chemical bonds from several points of view, according to the “exigence” of properties to elucidate. In this context, the computational chemistry offers a suitable support on the topic by using different bond descriptors (e.g., NBO, QTAIM, EDA, VB, and charge displacement, to name a few).

Molecules is pleased to announce a Special Issue focused on “Computational Bond Analysis”. The Issue will cover all theoretical works aiming to elucidate the bond properties and rationalize the behavior of inorganic and organometallic systems on them.

It is a pleasure to invite you to submit a manuscript to this Special Issue. Regular articles, communications, as well as reviews are all welcome.

Dr. Girolamo Casella
Dr. Silvia Carlotto
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 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. 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.