782 results on '"Liu, Qi-Jun"'
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2. Molecular dynamics simulation of sensitivity of HMX, FOX-7, and TATB crystals
3. Study of the relationship between pressure and sensitivity of energetic materials based on first-principles calculation
4. Structural, elastic, mechanical, electronic, and optical properties of cubic K2Pb2O3 from first-principle study
5. Predicting the thermal decomposition temperature of energetic materials from a simple model
6. The calculated electronic and optical properties of β-Ga2O3 based on the first principles
7. Structural, electronic, and optical properties of three types Ca3N2 from first-principles study
8. The structural and electronic properties of (001) surface of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) with first-principles calculations
9. Structures, cold pressure lines, and electronic properties of cubic Al2O and AlO: First-principles calculations
10. Geometrical, electronic and optical properties of seven types ZnO from first-principles calculation
11. First-principles calculations of electronic, vibrational, and thermodynamic properties of nitrogen-rich salt of 3,6-dinitramino-1,2,4,5-tetrazine [(DAG)2(DNAT)·H2O]
12. Superconductivity at 215 K in H3SM (M=Ne, Ar, Kr, Xe, Rn) ternary hydrides
13. First-principles calculations to investigate pressure effect on structural, mechanical, electronic and thermodynamic properties of NADFP·DMF
14. Electron, phonon, and superconducting properties of Mg2CuH6 under pressure
15. The response of structure and vibrational modes of 1, 3-diamino-2, 4, 6-trinitrobenzene (DATB) to pressure
16. Raman spectra of naphthalene under shock compression
17. Superconductivity and stability of the novel electron-doped H3S system under high pressure
18. Analysis of the initial reaction mechanism of TKX-50 based on Raman intensity
19. Theoretical relationship between vibrational properties and impact sensitivity of energetic materials from the phonon upon transition theory
20. The effect of Li doping on superconductivity of SiH4(H2)2 from first-principles calculations
21. Pressure and temperature effects on the Raman spectra of LLM-105
22. Tracing the main elements and electron orbitals that induce superconducting phase transition
23. The continuous chemical reaction threshold bond for determining the triggering of energetic materials under pressure
24. Phase transition of sulfur during continuous impact loading-unloading process
25. The structural, electronic properties, pressure response and decomposition mechanism of bispentazole (N10) with first principles calculations
26. Geometrical, Electronic, and Optical Properties of Rhombohedral B6O from First‐Principles Calculation
27. Molecular Structures, Dipole Moments, and Electronic Properties of β-HMX under External Electric Field from First-Principles Calculations
28. To explore the relationship between energy transfer rate and impact sensitivity by the first-principle calculation method
29. Research of detonation products of RDX/Al from the perspective of composition
30. Raman spectra and vibrational properties of FOX-7 under pressure and temperature: First-principles calculations
31. The structural, mechanical and electronic properties of BaxNy compounds
32. Structural, elastic, electronic, and optical properties of NaAlSi3O8 and Al4[Si4O10](OH)8 from first-principles calculations
33. Effects of pressure on structural, electronic, optical, and mechanical properties of nitrogen-rich energetic material: 6-azido-8-nitrotetrazolo[1,5-b]pyridazine-7-amine (3at)
34. High-pressure induced structural changes of energetic ionic salts: Dihydroxylammonium 3,3′-dinitro-5,5′-bis-1,2,4-triazole-1,1′-diolate (MAD-X1)
35. Crystal structures, effective masses, electronic and optical properties of KTa5O13 and KTaO3: A density functional theory study
36. First-principles calculations to investigate structural, electronic and optical properties of two-dimensional ZnIn2S4
37. Effects of electric fields along different directions on the sensitivity and decomposition of TKX-50
38. First-principles study of the structural, electronic and optical properties of two-dimensional PC6X and PX6 (X=N, As)
39. Three-dimensional discrete element method to simulate the ignition and combustion of HMX explosives under hot spots
40. Theoretical study on isostructural pressure-induced phase transition of solid ethane at extremely low temperature
41. First-principle calculations of the structural, vibrational, mechanical, electronic, and optical properties of ε-O8 under pressure
42. First-principles calculations of the structural, mechanical, electronic, and optical properties of BaX2 (X=O, S, Se and Te) compounds
43. First-principles calculations of structural, electronic and elastic properties of carbon allotropes
44. Modulation effect of low-electronegativity non-metallic elements on the electronic structure of group-IVB transition metal oxides
45. Prediction of chemical bond breaking in insensitive high-energy energetic materials at high temperature and pressure.
46. The structural, mechanical and electronic properties of Ti–Al-based compounds by first-principles calculations
47. Screening criteria for high-performance p-type transparent conducting materials and their applications
48. First‐Principles Studies of Structural, Mechanical, Electronic, and Optical Properties of CsCuO.
49. Structural and electronic properties of clathrate-like hydride: MH6 and MH9 (M = Sc, Y, La).
50. Structural, elastic, mechanical, electronic, and optical properties of cubic K2Pb2O3 from first-principle study.
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