| DFT studies on nitrogen-rich pyrazino [2, 3-e][1, 2, 3, 4] tetrazine–based high–energy density compounds RU Khan, S Zhu, W Zhu Journal of Molecular Modeling 25, 1-14, 2019 | 16 | 2019 |
| Designing and looking for novel low-sensitivity and high-energy cage derivatives based on the skeleton of nonanitro nonaaza pentadecane framework RU Khan, W Zhu Structural Chemistry 31, 1387-1402, 2020 | 10 | 2020 |
| Theoretical Studies on Energetic Nitrogen‐Rich Heterocyclic Substituted Derivatives of Pyrazino [2, 3‐e] [1, 2, 3, 4] Tetrazine‐1, 3‐di‐N‐oxide R Ullah Khan, W Zhu ChemistrySelect 4 (46), 13646-13655, 2019 | 5 | 2019 |
| Computer-aided design and property prediction of novel insensitive high-energy heterocycle-substituted derivatives of cage NNNAHP RU Khan, W Zhu Journal of Molecular Modeling 26 (9), 239, 2020 | 4 | 2020 |
| Computational insight into polynitromethyl-and polydifluoroaminomethyl-substituted energetic derivatives of 2, 3-dihydro pyrazino [2, 3-e][1, 2, 3, 4] tetrazine RU Khan, W Zhu Journal of Molecular Modeling 26 (4), 78, 2020 | 2 | 2020 |
| Computational study of energetic derivatives of 3, 3′-bridged ditriazoles RU Khan, W Zhu Canadian Journal of Chemistry 98 (3), 115-127, 2020 | 1 | 2020 |
