Molecular Structural Analysis and Structure-Property Relationships in Materials Chemistry
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Physical Chemistry".
Deadline for manuscript submissions: closed (31 May 2024) | Viewed by 758
Special Issue Editors
Interests: structural chemistry; quantum chemistry; effects of substituents; ring dynamic and large-amplitude motion; pseudo-rotational motion; conformational analysis; vibrational and rotational spectroscopy; NMR relaxometry; structure–property and structure–function relationships
Interests: solid-state electrochemistry; metal–electrolyte interfaces; materials science and surface chemistry; surface reconstruction phenomena; corrosion and dealloying; nanostructures and nanostructuring; advanced surface characterization techniques
Special Issue Information
Dear Colleagues,
Two essential questions arise while investigating molecular structures: 1. Why are we studying molecular structures? and 2. why are we interested in studying the effects of substituents?The answers can be most appropriately derived from the structure–property–function (SPF) relationships of molecules. These relationships associate the determined molecular structure with the physicochemical behavior of molecules.
The inclusion of hetero atoms or the addition of functional groups into molecules results in the diversification of their properties. The effect of adding substituents resembles a steering mechanism that allows researchers to manipulate the properties of the host molecules and navigate their functions. By choosing certain substituents and their placement at selected positions in molecules, we are able to a priori tailor molecular systems with certain properties according to the Lock-and-Key Principle and utilize them for large-scale applications.
The correlation between the structure of molecules and their properties and functions is a fundamental and universal principle in almost all disciplines of natural sciences. For an insightful understanding of these SPF relationships, interdisciplinary efforts ranging from chemistry, physics, biology, pharmaceutical technology, drug design, life sciences, and quantum chemistry are required.
The main objective of this Special Issue is to provide a platform for scientists who are working in the fields mentioned above and are interested in presenting their research results on the SPF relationships of molecules. Original research papers, review articles, and short communication letters are all welcome.
Prof. Dr. Marwan Dakkouri
Guest Editor
Dr. Andrea S. Dakkouri-Baldauf
Guest Editor Assistant
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 structure
- effect of substituents
- structure–property relationship
- hydrogen bonding
- molecular life science
- drug design
- polymer science
- optoelectronics
