Fundamental Aspects of Chemical Bonding—2nd Edition
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Computational and Theoretical Chemistry".
Deadline for manuscript submissions: 30 September 2024 | Viewed by 114
Special Issue Editor
Interests: computational and theoretical chemistry; Ab initio calculations; DFT calculations; encapsulation; molecular logic gates; molecular sensors; photoinduced charge transfer processes; supramolecular systems; bonding analysis
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
The chemical bond is one of the most fundamental concepts in chemistry. It explains why atoms are attracted to each other or why chemical reactions occur. There are two main categories of chemical bonds based on their strength, namely, the primary or strong bonds, i.e., covalent, metallic, and ionic bonds, and the secondary or weak bonds, i.e., dipole–dipole interactions, hydrogen bonds, etc. Different approaches are used for describing chemical bonding, i.e., molecular orbital (MO), valence bond (VB), electron localization function (ELF), the quantum theory of atoms in molecules (QTAIM), etc.
Given that the making and breaking of bonds is the heart of chemistry, a high number of research studies are being conducted in order to clarify and understand chemical bonding. This Special Issue aims to gather new ideas and methodologies on all aspects of chemical bonding as well as research studies on complex systems. Contributions both in the form of original research or review articles are particularly welcome.
Dr. Demeter Tzeli
Guest Editor
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Keywords
- chemical bonding
- bonding analysis
- calculations
- interactions
- MO analysis
- VB analysis
- electron localization function (ELF)
- quantum theory of atoms in molecules (QTAIM)
Related Special Issue
- Fundamental Aspects of Chemical Bonding in Molecules (14 articles)
