Advances in Computational Spectroscopy, 2nd Edition

Dear Colleagues,

It is my great pleasure to invite you to submit an article to a Special Issue of Molecules on the theme of “Advances in Computational Spectroscopy, 2nd Edition”.

The increasing sophistication of experimental spectroscopic techniques makes their results increasingly difficult to interpret without the help of computational chemistry. Computational spectroscopy, which is connected to quantum mechanics, molecular spectroscopy, and computational chemistry, is a tool that provides predictions of spectroscopic characteristics and properties, and one that is constantly developing. Quantum chemistry has reached such an accuracy that it can be used to plan and lead experimental research, participate in the determination of the spectroscopic parameters, and obtain desired results or information. Additionally, its experimental data are suitable for benchmarking theoretical results or introducing new methods of calculation.

It is our hope that this Special Issue will highlight the achievements that are being made in the field of computational spectroscopy within broad frequency ranges, covering molecular systems of increasing sizes and complexity, from single molecules, clusters, and complexes to condensed phase studies, as well as research on organic molecules and inorganic complexes, basic studies, and different application areas.

Manuscripts describing original research and reviews focusing on computational spectroscopy will be welcome in this Special Issue.

Dr. Magdalena Sałdyka
Prof. Dr. Małgorzata Biczysko
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.