Synthesis and Theoretical Study in Organic Chemistry
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Organic Chemistry".
Deadline for manuscript submissions: closed (31 March 2025) | Viewed by 846
Special Issue Editor
Special Issue Information
Dear Colleagues,
The synthesis and theoretical study of organic compounds are pivotal in advancing organic chemistry. Synthesis involves constructing complex organic molecules through a series of chemical reactions, facilitating the development of new materials and pharmaceuticals. This hands-on approach is enriched by theoretical studies that employ computational models and quantum mechanical principles to predict and elucidate the behavior of organic compounds. By merging experimental synthesis with theoretical analysis, researchers can fine-tune reaction conditions, improve yields, and design novel molecules with targeted properties. Theoretical techniques, such as density functional theory (DFT) and molecular dynamics simulations, offer valuable insights into reaction mechanisms and electronic structures, which aid in designing more efficient synthetic routes. This synergy between synthesis and theoretical study fosters innovation in organic chemistry, driving progress in materials science, drug development, and industrial applications. The integration of experimental and theoretical approaches is crucial for tackling complex chemical challenges and pushing the frontiers of organic chemistry. We welcome all original research papers and critical reviews on this topic.
Dr. Bhausaheb Dhokale
Guest Editor
Manuscript Submission Information
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Keywords
- organic synthesis
- theoretical chemistry
- computational chemistry
- quantum mechanics
- density functional theory (DFT)
- molecular dynamics simulations
- reaction mechanisms
- electronic structures
- materials science
- pharmaceutical Development
- organic chemistry research
- quantum chemical calculations
- chemical reaction design
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