138 results on '"Jiao, Haijun"'
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2. Temperature-Dependent Ethylene Dissociative Adsorption on Ruthenium
3. NMR and DFT analysis of the major diastereomeric degradation product of clopidogrel under oxidative stress conditions
4. Zirconium-hydride-catalyzed site-selective hydroboration of amides for the synthesis of amines: Mechanism, scope, and application
5. NMR spectroscopic and theoretical studies on the isomerism of 1,5-benzodiazepin-2-one derivatives containing a perfluorinated side chain
6. Predication of screened hybrid functional on transition metal monoxides: From Mott insulator to charge transfer insulator
7. From predicting to correlating the bonding properties of iron sulfide phases
8. Predicting the structural and electronic properties of transition metal monoxides from bulk to surface morphology
9. Surface morphology of orthorhombic Mo2C catalyst and high coverage hydrogen adsorption
10. Activation mechanisms of H2, O2, H2O, CO2, CO, CH4 and C2Hx on metallic Mo2C(001) as well as Mo/C terminated Mo2C(101) from density functional theory computations
11. Morphology control of K2O promoter on Hägg carbide (χ-Fe5C2) under Fischer–Tropsch synthesis condition
12. Co-adsorption and mutual interaction of nCO + mH2 on the Fe(1 1 0) and Fe(1 1 1) surfaces
13. The role of potassium promoter in surface carbon hydrogenation on Hägg carbide surfaces
14. Decomposition mechanism of a cobalt-coordinated phosphite–olefin ligand under irradiation
15. Stable surface terminations of orthorhombic Mo2C catalysts and their CO activation mechanisms
16. Adsorption and energetics of H2O molecules and O atoms on the χ-Fe5C2 (1 1 1), (−4 1 1) and (0 0 1) surfaces from DFT
17. Molybdenum carbide catalysed hydrogen production from formic acid – A density functional theory study
18. Hydrogen generation from formic acid decomposition on Ni(2 1 1), Pd(2 1 1) and Pt(2 1 1)
19. Density functional theory study into H2O dissociative adsorption on the Fe5C2(0 1 0) surface
20. Fe3O4 surface electronic structures and stability from GGA + U
21. Energetics of Carbon deposition on Fe(100) and Fe(110) surfaces and subsurfaces
22. Chain growth mechanism of Fischer–Tropsch synthesis on Fe 5C 2(0 0 1)
23. A DFT study on the distributions of Al and Brönsted acid sites in zeolite MCM-22
24. Synthesis, complexation behavior and application of a new diphosphite ligand in rhodium-catalyzed hydroformylation
25. Structures and energies of iron promoted γ-Al 2O 3 surface: A computational study
26. Mechanistic aspect of ethanol synthesis from methanol under CO hydrogenation condition on MoS x cluster model catalysts
27. CO hydrogenation reaction on sulfided molybdenum catalysts
28. Isopropanol adsorption on γ-Al 2O 3 surfaces: A computational study
29. Structure and energetics of hydrogen adsorption on Fe 3O 4(1 1 1)
30. CO 2 dissociation on Ni(2 1 1)
31. Reactivity of surface OH in CH 4 reforming reactions on Ni(1 1 1): A density functional theory calculation
32. Interaction of alkali metals with the Fe3O4(1 1 1) Surface
33. Density functional theory study of H 2 adsorption on the (1 0 0), (0 0 1) and (0 1 0) surfaces of Fe 3C
34. What is the product of ketene hydrogenation on Fe 5C 2(0 0 1): Oxygenates or hydrocarbons?
35. Density functional theory study of CO adsorption on the (1 0 0), (0 0 1) and (0 1 0) surfaces of Fe 3C
36. Adsorption of NO, NO 2, pyridine and pyrrole on α-Mo 2C(0 0 0 1): A DFT study
37. Kinetic aspect of CO 2 reforming of CH 4 on Ni(1 1 1): A density functional theory calculation
38. Structure and stability of Fe 4C bulk and surfaces: A density functional theory study
39. NO adsorption on triangular Mo 28S 60 cluster
40. An ONIOM2 study on pyridine adsorption in the main channels of Li- and Na-MOR
41. Hydrogen adsorption on a Mo 27S 54 cluster: A density functional theory study
42. The structure and electronic property of BN nanotube
43. CH 4 dissociation on Ni surfaces: Density functional theory study
44. Density functional theory study into the adsorption of CO 2, H and CH x ( x = 0–3) as well as C 2H 4 on α-Mo 2C(0 0 0 1)
45. Synthetic, spectral and catalytic activity studies of ruthenium bipyridine and terpyridine complexes: Implications in the mechanism of the ruthenium(pyridine-2,6-bisoxazoline)(pyridine-2,6-dicarboxylate)-catalyzed asymmetric epoxidation of olefins utilizing H 2O 2
46. Amines adsorption on Li- and Na-exchanged MOR: An ONIOM2 Study
47. Removal of surface sulfur from MoS x cluster under CO adsorption
48. An ONIOM study of amines adsorption in H-[Ga]MOR
49. Surface structure and energetics of oxygen and CO adsorption on α-Mo 2C(0 0 0 1)
50. Formation of oxygen vacancies on the TiO 2(1 1 0) surfaces
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