73 results on '"Jiao, Haijun"'
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2. Interface mediated CO2 hydrogenation on inverse supported ZrO2/Ni(1 1 1) nanocluster catalyst
3. Temperature-Dependent Ethylene Dissociative Adsorption on Ruthenium
4. Distribution of multiple Al substitution in HY zeolite and Brønsted acid strength - A periodic DFT study
5. NMR and DFT analysis of the major diastereomeric degradation product of clopidogrel under oxidative stress conditions
6. Zirconium-hydride-catalyzed site-selective hydroboration of amides for the synthesis of amines: Mechanism, scope, and application
7. Intrinsic mechanism of active metal dependent primary amine selectivity in the reductive amination of carbonyl compounds
8. NMR spectroscopic and theoretical studies on the isomerism of 1,5-benzodiazepin-2-one derivatives containing a perfluorinated side chain
9. Predication of screened hybrid functional on transition metal monoxides: From Mott insulator to charge transfer insulator
10. From predicting to correlating the bonding properties of iron sulfide phases
11. Visiting CH4 formation and C1 + C1 couplings to tune CH4 selectivity on Fe surfaces
12. The effect of phase composition and crystallite size on activity and selectivity of ZrO2 in non-oxidative propane dehydrogenation
13. Exploring the activities of vanadium, niobium, and tantalum PNP pincer complexes in the hydrogenation of phenyl-substituted C[tbnd]N, C[dbnd]N, C[tbnd]C, C[dbnd]C, and C[dbnd]O functional groups
14. Predicting the structural and electronic properties of transition metal monoxides from bulk to surface morphology
15. Oriented control of Al locations in the framework of Al-Ge-ITQ-13 for catalyzing methanol conversion to propene
16. Surface morphology of orthorhombic Mo2C catalyst and high coverage hydrogen adsorption
17. 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
18. Morphology control of K2O promoter on Hägg carbide (χ-Fe5C2) under Fischer–Tropsch synthesis condition
19. Co-adsorption and mutual interaction of nCO + mH2 on the Fe(1 1 0) and Fe(1 1 1) surfaces
20. The role of potassium promoter in surface carbon hydrogenation on Hägg carbide surfaces
21. Decomposition mechanism of a cobalt-coordinated phosphite–olefin ligand under irradiation
22. A route to form initial hydrocarbon pool species in methanol conversion to olefins over zeolites
23. Stable surface terminations of orthorhombic Mo2C catalysts and their CO activation mechanisms
24. 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
25. Molybdenum carbide catalysed hydrogen production from formic acid – A density functional theory study
26. Hydrogen generation from formic acid decomposition on Ni(2 1 1), Pd(2 1 1) and Pt(2 1 1)
27. Density functional theory study into H2O dissociative adsorption on the Fe5C2(0 1 0) surface
28. NMR investigation and theoretical studies on the tautomerism of β,β′-tricarbonyl compounds
29. From sunflower oil toward 1,19-diester: Mechanistic elucidation
30. Surface morphology of Hägg iron carbide (χ-Fe5C2) from ab initio atomistic thermodynamics
31. Fe3O4 surface electronic structures and stability from GGA + U
32. Energetics of Carbon deposition on Fe(100) and Fe(110) surfaces and subsurfaces
33. Chain growth mechanism of Fischer–Tropsch synthesis on Fe 5C 2(0 0 1)
34. A DFT study on the distributions of Al and Brönsted acid sites in zeolite MCM-22
35. Synthesis, complexation behavior and application of a new diphosphite ligand in rhodium-catalyzed hydroformylation
36. Structures and energies of iron promoted γ-Al 2O 3 surface: A computational study
37. Synthesis and characterization of permethylated 1,3,5-tri- and 1,3,5,7-tetracarbonyl compounds
38. Mechanistic aspect of ethanol synthesis from methanol under CO hydrogenation condition on MoS x cluster model catalysts
39. CO hydrogenation reaction on sulfided molybdenum catalysts
40. Isopropanol adsorption on γ-Al 2O 3 surfaces: A computational study
41. Structure and energetics of hydrogen adsorption on Fe 3O 4(1 1 1)
42. CO 2 dissociation on Ni(2 1 1)
43. Reactivity of surface OH in CH 4 reforming reactions on Ni(1 1 1): A density functional theory calculation
44. Interaction of alkali metals with the Fe3O4(1 1 1) Surface
45. Density functional theory study of H 2 adsorption on the (1 0 0), (0 0 1) and (0 1 0) surfaces of Fe 3C
46. A theoretical investigation into the thiophene-cracking mechanism over pure Brønsted acidic zeolites
47. CO dissociation on clean and hydrogen precovered Fe(111) surfaces
48. What is the product of ketene hydrogenation on Fe 5C 2(0 0 1): Oxygenates or hydrocarbons?
49. Density functional theory study of CO adsorption on the (1 0 0), (0 0 1) and (0 1 0) surfaces of Fe 3C
50. Adsorption of NO, NO 2, pyridine and pyrrole on α-Mo 2C(0 0 0 1): A DFT study
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