| Molecular and crystal features of thermostable energetic materials: guidelines for architecture of “bridged” compounds H Li, L Zhang, N Petrutik, K Wang, Q Ma, D Shem-Tov, F Zhao, M Gozin ACS Central Science 6 (1), 54-75, 2019 | 97 | 2019 |
| First-principles study of He effects in a bcc Fe grain boundary: site preference, segregation and theoretical tensile strength L Zhang, X Shu, S Jin, Y Zhang, GH Lu Journal of Physics: Condensed Matter 22 (37), 375401, 2010 | 75 | 2010 |
| Energetic landscape and diffusion of He in -Fe grain boundaries from first principles L Zhang, CC Fu, GH Lu Physical Review B 87 (13), 134107, 2013 | 67 | 2013 |
| Phase transition in octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine (HMX) under static compression: an application of the first-principles method specialized for CHNO … L Zhang, SL Jiang, Y Yu, Y Long, HY Zhao, LJ Peng, J Chen The Journal of Physical Chemistry B 120 (44), 11510-11522, 2016 | 64 | 2016 |
| Stabilization of the Dual-Aromatic cyclo-N5– Anion by Acidic Entrapment L Zhang, C Yao, Y Yu, SL Jiang, CQ Sun, J Chen The journal of physical chemistry letters 10 (10), 2378-2385, 2019 | 56 | 2019 |
| Response to Comment on “Synthesis and characterization of the pentazolate anion cyclo-N5– in (N5)6(H3O)3(NH4)4Cl” C Jiang, L Zhang, C Sun, C Zhang, C Yang, J Chen, B Hu Science 359 (6381), aas8953, 2018 | 40 | 2018 |
| From intermolecular interactions to structures and properties of a novel cocrystal explosive: a first-principles study L Zhang, JZ Wu, SL Jiang, Y Yu, J Chen Physical Chemistry Chemical Physics 18 (38), 26960-26969, 2016 | 36 | 2016 |
| Applying machine learning to balance performance and stability of high energy density materials X Huang, C Li, K Tan, Y Wen, F Guo, M Li, Y Huang, CQ Sun, M Gozin, ... Iscience 24 (3), 2021 | 34 | 2021 |
| Towards theoretical connection between tensile strength of a grain boundary and segregated impurity concentration: Helium in iron as an example L Zhang, Y Zhang, WT Geng, GH Lu Europhysics Letters 98 (1), 17001, 2012 | 33 | 2012 |
| Strategies for Achieving Balance Between Detonation Performance and Crystal Stability of High Energy Density Materials CY Li, H Li, HH Zong, Y Huang, M Gozin, CQ Sun, L Zhang iScience 23 (3), 100944, 2020 | 30 | 2020 |
| Properties of He clustering in α-Fe grain boundaries L Zhang, CC Fu, E Hayward, GH Lu Journal of Nuclear Materials 459, 247-258, 2015 | 29 | 2015 |
| Structure and stability of He and He–vacancy clusters at a Σ5 (310)/[001] grain boundary in bcc Fe from first-principles L Zhang, Y Zhang, GH Lu Journal of Physics: Condensed Matter 25 (9), 095001, 2013 | 27 | 2013 |
| Co‐Assembly Induced Solid‐State Stacking Transformation in Amino Acid‐Based Crystals with Enhanced Physical Properties W Ji, H Yuan, B Xue, S Guerin, H Li, L Zhang, Y Liu, LJW Shimon, M Si, ... Angewandte Chemie International Edition 61 (17), e202201234, 2022 | 26 | 2022 |
| Characterization of iron ferromagnetism by the local atomic volume: from three-dimensional structures to isolated atoms L Zhang, M Šob, Z Wu, Y Zhang, GH Lu Journal of Physics: Condensed Matter 26 (8), 086002, 2014 | 26 | 2014 |
| Structural, mechanical properties, and vibrational spectra of LLM-105 under high pressures from a first-principles study HH Zong, L Zhang, W Zhang, SL Jiang, Y Yu, J Chen Journal of molecular modeling 23, 1-9, 2017 | 25 | 2017 |
| Energetic Butterfly: Heat-Resistant Diaminodinitro trans-Bimane P Zhang, D Kumar, L Zhang, D Shem-Tov, N Petrutik, AK Chinnam, C Yao, ... Molecules 24 (23), 4324, 2019 | 21 | 2019 |
| Revealing solid properties of high-energy-density molecular cocrystals from the cooperation of hydrogen bonding and molecular polarizability L Zhang, SL Jiang, Y Yu, J Chen Scientific reports 9 (1), 1257, 2019 | 21 | 2019 |
| Modulating the electromechanical response of bio-inspired amino acid-based architectures through supramolecular co-assembly W Ji, B Xue, Y Yin, S Guerin, Y Wang, L Zhang, Y Cheng, LJW Shimon, ... Journal of the American Chemical Society 144 (40), 18375-18386, 2022 | 20 | 2022 |
| Power of sulfur–Chemistry, properties, laser ignition and theoretical studies of energetic perchlorate-free 1, 3, 4-thiadiazole nitramines J Das, D Shem-Tov, S Zhang, CZ Gao, L Zhang, C Yao, E Flaxer, ... Chemical Engineering Journal 443, 136246, 2022 | 19 | 2022 |
| Structure and Stability of Aromatic Nitrogen Heterocycles Used in the Field of Energetic Materials HH Zong, C Yao, CQ Sun, JG Zhang, L Zhang Molecules 25, 3232, 2020 | 19 | 2020 |
yi yuInstitute of Applied Physics and Computational MathematicsVerified email at iapcm.ac.cn
