Theoretical study on intra-molecule interaction in TKX-50
Published by
Physical Chemistry Chemical Physics (RSC Publishing)
Summary
Theoretical study on intra-molecule interaction in TKX-50
Chunhai Yang
Dr.
No.99 South Third Ring Road (Donghu Campus), 215500, Changshu, CN.About
Highly accomplished Professor with a Ph.D. in Materials Science, specializing in theoretical and computational chemistry, particularly focused on the electronic structure and properties of dangerous chemicals.
Work
Suzhou University of Technology
|Professor
Changshu, Jiangsu, China
→
Summary
Led advanced theoretical chemistry research at Suzhou University of Technology, focusing on the fundamental electronic structures and properties of novel energetic materials.
Highlights
Conducted pioneering research into aromaticity, structural stability, and molecular orbital theory, publishing 5 peer-reviewed articles in leading journals like Physical Chemistry Chemical Physics and Canadian Journal of Chemistry.
Investigated intramolecular weak interactions to predict and optimize properties of new energetic materials molecules, contributing to advancements in material science.
Applied advanced computational chemistry techniques to analyze the electronic structure of compounds like TKX-50 and pentazole rings, enhancing understanding of their kinetic stability and reactivity.
Contributed to interdisciplinary studies, including the analysis of acoustic radiation from pyrotechnic mixtures using experimental and image processing methods, expanding research scope.
Mentored junior researchers and contributed to the academic environment, fostering innovation in theoretical and computational materials science.
Education
Nanjing University of Science and Technology
Nanjing, Jiangsu, China
→
Ph.D.
Materials Science
Nanjing University of Science and Technology
Nanjing, Jiangsu, China
→
M.S.
Chemistry
Anhui University of Science and Technology
Huainan, Anhui, China
→
B.S.
Chemistry
Publications
Movement and acoustic radiation of a rising bubble from combustion of pyrotechnic mixtures using experiment and image processing method
Published by
Physics of Fluids
Summary
Movement and acoustic radiation of a rising bubble from combustion of pyrotechnic mixtures using experiment and image processing method
Languages
English
Fluent
Chinese
Native
Skills
Theoretical Chemistry
Aromaticity, Structural Stability, Molecular Orbital Theory, Intramolecular Weak Interaction, Electronic Structure, Energetic Materials, Quantum Chemistry.
Computational Chemistry
Density Functional Theory (DFT), Molecular Dynamics, Spectroscopy Simulation, Reaction Mechanism Analysis.
Research & Analysis
Scientific Publication, Data Interpretation, Peer Review, Experimental Design, Image Processing, Material Science, Thermochemistry.