Bin Wang

Bin joined the ALGC group as a predoctoral fellow funded by Chinese Scholarship Council in September 2021. His research focusing on using modern conceptual density functional theory method to study catalysis reactions, including enzyme/homogeneous catalysis as well as mechanism study. Furthermore, he is also interested in different chemical concepts and willing to develop novel descriptors, under the framework of density functional theory, to quantify them.

Selected Publications

B. Wang, D. B. Zhao, T. Lu, S. B. Liu, C. Y. Rong, Quantifications and applications of relative Fisher information in density functional theory, J. Phys. Chem. A 2021, 125, 3802–3811. doi:10.1021/acs.jpca.1c02099

B. Wang, C. Y. Rong, P. K. Chattaraj, S. B. Liu, A comparative study to predict regioselectivity, electrophilicity and nucleophilicity with Fukui function and Hirshfeld charge, Theor. Chem. Acc. 2019, 138, 124. doi:10.1007/s00214-019-2515-1

B. Wang, D. Yu, D. B. Zhao, C. Y. Rong, S. B. Liu, Nature and origin of γ-gauche effect in sulfoxides: A density functional theory and information-theoretic approach study, Chem. Phys. Lett. 2019, 730, 451–459. doi:10.1016/j.cplett.2019.06.039