Molecular Spectroscopy and Molecular Structure
A special issue of Molecules (ISSN 1420-3049).
Deadline for manuscript submissions: 31 December 2025
Special Issue Editors
Interests: infrared spectroscopy; excess spectroscopy; two-dimensional correlation spectroscopy; hydrogen bond; halogen bond; solution structure; thermodynamics
Special Issues, Collections and Topics in MDPI journals
Interests: molecular spectroscopy; molecular structure; molecular interactions; green solvents; methodological developments; hydrogen bond
Special Issue Information
Dear Colleagues,
We are pleased to announce this Special Issue of Molecules, titled "Molecular Spectroscopy and Molecular Structure". We invite researchers to contribute original research articles, reviews, and perspectives on the latest advancements in this dynamic field.
Molecular spectroscopy plays a fundamental role in deciphering molecular structures, interactions, and dynamics, with applications spanning chemistry, physics, material sciences, and life sciences. This Special Issue seeks to showcase innovative developments in the methods/techniques of all areas of molecular spectroscopy such as IR, Raman, UV–vis, and NMR, as well as their integration with computational methods to unravel complex molecular structures. Topics of interest include, but are not limited to, the following:
- Advanced spectroscopic methods (ultrafast, terahertz, nonlinear, and single-molecule spectroscopy);
- Quantum chemical calculations for spectral interpretation and hydrogen bonding;
- Molecular structure determination and dynamics;
- Spectral applications in catalysis, materials, biomolecules, and environmental sciences.
We encourage submissions that bridge theory and experiments, highlight novel instrumentation, or address challenges in spectral analysis. By bringing together diverse perspectives, this Special Issue aims to foster interdisciplinary collaboration and advance our understanding of molecular behavior.
We look forward to your submissions.
Prof. Dr. Zhiwu Yu
Dr. Yu Zhou
Dr. Yukihiro Ozaki
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 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.
Keywords
- Molecular spectroscopy
- Molecular structure
- Applications in biological sciences
- Applications in materials science
- Molecular interaction
- Hydrogen bonds
- Methodological development
- Quantum chemical calculation
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