651 results on '"Liu, Zheng-Tang"'
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2. Structural, Mechanical, Electronic, Chemical Bonding, and Optical Properties of Cubic Cu\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${}_{\mathbf{2}}$$\end{document}O: First-Principles Calculations
3. Structural, mechanical, electronic, vibrational properties and hydrogen bonding of a novel energetic ionic 5, 5′-dinitroamino-3, 3′-azo-oxadiazole 4, 7-diaminopyridazino [4, 5-c] furoxan salt
4. First-principles study of the structure, electronic and optical properties of monolayer ZrX3 (X = S, Se, Te)
5. First-principle calculations of the electronic, vibrational, and thermodynamic properties of nitrogen-rich salt of 3,6-dinitramino-1,2,4,5-tetrazine [(NH4)2(DNAT)]
6. First-principles calculation of structural, electronic, optical, and mechanical properties of SrVO3
7. Predicting the thermal decomposition temperature of energetic materials from a simple model
8. Structural and electronic properties of clathrate-like hydride: MH6 and MH9 (M = Sc, Y, La)
9. First Principles Predict the Structural Properties, Electronic Properties and Phase Diagrams of RDX under High Temperature and Pressure
10. Molecular dynamics simulation of sensitivity of HMX, FOX-7, and TATB crystals
11. Study of the relationship between pressure and sensitivity of energetic materials based on first-principles calculation
12. Structural, elastic, mechanical, electronic, and optical properties of cubic K2Pb2O3 from first-principle study
13. The calculated electronic and optical properties of β-Ga2O3 based on the first principles
14. Geometrical, elastic, electronic, phonon, and optical properties of Na3AgO2 from first-principles calculation
15. An extension of atomic mean square displacement method for calculating melting temperatures in II-VI compounds
16. First-principles calculations to investigate pressure effect on structural, mechanical, electronic and thermodynamic properties of NADFP·DMF
17. Electron, phonon, and superconducting properties of Mg2CuH6 under pressure
18. The response of structure and vibrational modes of 1, 3-diamino-2, 4, 6-trinitrobenzene (DATB) to pressure
19. Structural, electronic, and optical properties of two-dimensional and bulk ZrNBr from first-principles calculations
20. Emerging superconductivity rules in rare-earth and alkaline-earth metal hydrides
21. Pressure dependence of superconducting behavior of solid Br and I: A first-principles study
22. Superconductivity and stability of the novel electron-doped H3S system under high pressure
23. 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]
24. Structural, electronic, and optical properties of three types Ca3N2 from first-principles study
25. The structural and electronic properties of (001) surface of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) with first-principles calculations
26. Structures, cold pressure lines, and electronic properties of cubic Al2O and AlO: First-principles calculations
27. Geometrical, electronic and optical properties of seven types ZnO from first-principles calculation
28. Superconductivity at 215 K in H3SM (M=Ne, Ar, Kr, Xe, Rn) ternary hydrides
29. Theoretical relationship between vibrational properties and impact sensitivity of energetic materials from the phonon upon transition theory
30. Analysis of the initial reaction mechanism of TKX-50 based on Raman intensity
31. The effect of Li doping on superconductivity of SiH4(H2)2 from first-principles calculations
32. Pressure and temperature effects on the Raman spectra of LLM-105
33. The continuous chemical reaction threshold bond for determining the triggering of energetic materials under pressure
34. The structural, electronic properties, pressure response and decomposition mechanism of bispentazole (N10) with first principles calculations
35. To explore the relationship between energy transfer rate and impact sensitivity by the first-principle calculation method
36. Raman spectra and vibrational properties of FOX-7 under pressure and temperature: First-principles calculations
37. 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)
38. Structural, elastic, electronic, and optical properties of NaAlSi3O8 and Al4[Si4O10](OH)8 from first-principles calculations
39. Geometrical, Electronic, and Optical Properties of Rhombohedral B6O from First‐Principles Calculation
40. Crystal structures, effective masses, electronic and optical properties of KTa5O13 and KTaO3: A density functional theory study
41. First-principles calculations to investigate structural, electronic and optical properties of two-dimensional ZnIn2S4
42. Effects of electric fields along different directions on the sensitivity and decomposition of TKX-50
43. First-principles study of the structural, electronic and optical properties of two-dimensional PC6X and PX6 (X=N, As)
44. First-principles calculations of the structural, mechanical, electronic, and optical properties of BaX2 (X=O, S, Se and Te) compounds
45. First-principles calculations of structural, electronic and elastic properties of carbon allotropes
46. Modulation effect of low-electronegativity non-metallic elements on the electronic structure of group-IVB transition metal oxides
47. 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)
48. Compressed Sr superconducting transition temperature up to 17.65 K.
49. Optical and Electronic Properties of p‐type Transparent Conductive Oxide Cs2Pb2O3: A Density Functional Theory Study.
50. First‐Principles Studies of Structural, Mechanical, Electronic, and Optical Properties of CsCuO.
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