| Abstract | 第1-8页 |
| 1 Supermolecular Chemistry and Intermolecular Interaction | 第8-25页 |
| 2 A DFT Study of 1,1-Diamino-2,2-dinitroethylene Dimers and Crystal | 第25-43页 |
| 3 A Periodic DFT Approach to Octanitrocubane Crystal | 第43-52页 |
| 4 A Density Functional Theory Investigation of 3-nitro-1,2,4-triazole-5-one Dimers and Crystal | 第52-70页 |
| 5 Periodic DFT Approach to Benzotrifuroxan Crystal | 第70-78页 |
| 6 A DFT Investigation on the Tautomers and Crystal of 2-diazo-4,6-dinitrophenol | 第78-87页 |
| 7 Intermolecular Interaction of HMX: an application of ONIOM methodology | 第87-94页 |
| Acknowledgments | 第94-95页 |
| Publications in the Postdoctoral Period | 第95页 |
