Xi’an University | China
Professor Hong Jiang Ren of Xi’an University, China, is a distinguished researcher in computational and theoretical chemistry, specializing in reaction mechanism modeling, molecular structure analysis, and nanocluster interactions. With a Doctorate in Materials Physics and Chemistry from Northwestern Polytechnical University, his academic journey is deeply rooted in both analytical and physical chemistry, reflecting a comprehensive mastery of quantum chemical methodologies and molecular simulations. Dr. Ren’s research primarily focuses on tautomerization mechanisms in purine derivatives and the degradation pathways of anesthetic radicals such as desflurane and sevoflurane, employing density functional theory (DFT) and ab initio methods. His studies have elucidated crucial insights into intramolecular proton transfer, radical reaction kinetics, and transition state dynamics, which are essential for understanding chemical stability, atmospheric reactivity, and pharmaceutical behavior. His notable works include theoretical explorations of 6-mercaptopurine and metal nanocluster interactions (Journal of Molecular Graphics and Modelling), hydrogen storage potentials of doped fullerenes (International Journal of Hydrogen Energy), and adsorption phenomena on Au(001) surfaces (ACS Omega). Collectively, his 53 scientific publications have attracted 258 citations from 230 documents, achieving an h-index of 7 (Scopus, 2025), signifying sustained scholarly influence and research impact. Dr. Ren’s findings contribute significantly to computational materials chemistry, nanocatalysis, and environmental modeling. His work bridges molecular-scale insights with energy and environmental applications, including CO₂ capture, hydrogen storage, and atmospheric pollutant degradation. A visiting scholar at Beijing Normal University, Dr. Ren continues to engage in cutting-edge theoretical investigations that deepen molecular-level understanding and promote sustainable chemistry. His commitment to precision, innovation, and interdisciplinary collaboration highlights his growing influence in theoretical and materials chemistry, making him a leading candidate for advanced recognition in computational molecular science and chemical research excellence.
Featured Publications
Ren, H. J., Wang, P. P., Zhu, G., Wang, L. C., Wang, G., & He, Y. P. (2025). A new insight of structures, bonding and electronic properties for 6-mercaptopurine adsorbed on M@Au₁₂ (M = Au, Ag, Pd, and Pt) nanoclusters: A theoretical perspective. Journal of Molecular Graphics and Modelling, 140, 109097–109108.
Yang, H. X., Liu, B., & Ren, H. J. (2024). A DFT study of the hydrogen storage potentials and properties of Ca, Fe, and Ti deposited NaSi₂₀ fullerenes. Journal of the Mexican Chemical Society, 68(3), 455–468.
Ren, H. J., Zhu, G., Li, J. T., & Yang, J. X. (2022). Atmospheric chemistry of sevoflurane radical: A degradation reaction mechanism in the presence of NO from a theoretical perspective. Computational and Theoretical Chemistry, 1212, 113706–113711.
Ren, H. J., Cao, X. W., Zhang, Y. H., Chehelamirani, M., & Salahub, D. R. (2020). Theoretical investigation of 6-mercaptopurine isomers adsorption on the Au(001) surface: Revealing the fate of different isomers. ACS Omega, 5(1), 610–618.
Ren, H. J., Chen, F., Li, X. J., He, Y. P., & Li, F. (2019). A new insight of structures, bonding and electronic properties for 6-mercaptopurine and Ag₈ clusters configurations: A theoretical perspective. BMC Chemistry, 13, 55.