| Potential molecular semiconductor devices: cyclo-C n (n= 10 and 14) with higher stabilities and aromaticities than acknowledged cyclo-C 18 M Li, Z Gao, Y Han, Y Zhao, K Yuan, S Nagase, M Ehara, X Zhao Physical Chemistry Chemical Physics 22 (8), 4823-4831, 2020 | 41 | 2020 |
| Theoretical investigation of the key roles in fullerene-formation mechanisms: Enantiomer and enthalpy MY Li, YX Zhao, YB Han, K Yuan, S Nagase, M Ehara, X Zhao ACS Applied Nano Materials 3 (1), 547-554, 2019 | 10 | 2019 |
| Covalent interactions depend on the distances between metals and fullerenes for thermodynamically stable M@ C 78 (M= La, Ce, and Sm) M Li, Y Zhao, Y Han, K Yuan, K Zhang, Y Chen, M Ehara, S Nagase, ... Inorganic Chemistry Frontiers 7 (13), 2538-2547, 2020 | 8 | 2020 |
| Theoretical Insight into Thermodynamically Optimal U@C84: Three-Electron Transfer Rather Than Four-Electron Transfer Y Zhao, K Yuan, YB Han, MY Li, M Ehara, X Zhao Inorganic Chemistry 59 (17), 12650-12658, 2020 | 7 | 2020 |
| On the Origins of Stereo-and Regio-Selectivities in the Formation of Fullerene–Fluorene Dyads KN Zhang, H Zheng, Y Han, Y Cheng, X Zhao The Journal of Organic Chemistry 87 (7), 4702-4711, 2022 | 3 | 2022 |
| Lithium–bromine exchange reaction on C 60: first theoretical proposal of a stable singlet fullerene carbene without the heteroatom M Li, Y Zhao, K Yuan, Y Han, J Zhang, Y Wu, M Ehara, S Nagase, X Zhao Organic Chemistry Frontiers 8 (7), 1551-1562, 2021 | 3 | 2021 |
| Exploring exohedral functionalization of fullerene with automation and Neural Network Potential M Liu, Y Han, Y Cheng, X Zhao, H Zheng Carbon 213, 118180, 2023 | 2 | 2023 |
| Effects of orbital angles on the modeling of conjugated systems with curvature Y Han, M Li, X Zhao Physical Chemistry Chemical Physics 24 (44), 27467-27473, 2022 | 1 | 2022 |
Mengyang Li(李孟阳)School of Physics at Xidian University在 xidian.edu.cn 的电子邮件经过验证
Mengyang Li(李孟阳)School of Physics at Xidian University在 xidian.edu.cn 的电子邮件经过验证