99 results on '"Jiao, Haijun"'
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2. Temperature-dependent ethylene dissociative adsorption on ruthenium
3. Interface mediated CO2 hydrogenation on inverse supported ZrO2/Ni(1 1 1) nanocluster catalyst
4. Photoredox/nickel cooperatively catalyzed radical allylic silylation of allyl acetates – Scope and mechanism
5. Distribution of multiple Al substitution in HY zeolite and Brønsted acid strength - A periodic DFT study
6. Mechanisms of CO2 hydrogenative conversion on supported Ni/ZrO2 catalyst
7. Surface hydroxyl dependent adsorption of ruthenium on SiO2(0 0 1) – Understanding metal–support interaction
8. Dissociative adsorption of H2O and CO2 on the clean and O-pre-covered high index Ru surfaces: Corrugated Ru(11−21) and stepped Ru(20−21) surfaces
9. NMR and DFT analysis of the major diastereomeric degradation product of clopidogrel under oxidative stress conditions
10. A recyclable CoGa intermetallic compound catalyst for the hydroformylation reaction
11. Zirconium-hydride-catalyzed site-selective hydroboration of amides for the synthesis of amines: Mechanism, scope, and application
12. Intrinsic mechanism of active metal dependent primary amine selectivity in the reductive amination of carbonyl compounds
13. Hydrogen Adsorption on Ir(111), Ir(100) and Ir(110)—Surface and Coverage Dependence
14. Nitridation of the metallic Mo2C(001) surface from NH3 dissociative adsorption—A DFT study
15. Mechanistic insight into CO activation, methanation and C-C bond formation from coverage dependent CO hydrogenation on Fe(110)
16. Predication of screened hybrid functional on transition metal monoxides: From Mott insulator to charge transfer insulator
17. NMR spectroscopic and theoretical studies on the isomerism of 1,5-benzodiazepin-2-one derivatives containing a perfluorinated side chain
18. From predicting to correlating the bonding properties of iron sulfide phases
19. Visiting CH4 formation and C1 + C1 couplings to tune CH4 selectivity on Fe surfaces
20. The effect of phase composition and crystallite size on activity and selectivity of ZrO2 in non-oxidative propane dehydrogenation
21. Exploring the activities of vanadium, niobium, and tantalum PNP pincer complexes in the hydrogenation of phenyl-substituted C N, C N, C C, C C, and C O functional groups
22. Adsorption and dissociation of H 2 O and CO 2 on the clean and O-pre-covered Ru(0001) surface
23. Predicting the structural and electronic properties of transition metal monoxides from bulk to surface morphology
24. Potassium promotion on CO hydrogenation on the χ-Fe 5 C 2 (111) surface with carbon vacancy
25. About copper promotion in CH 4 formation from CO hydrogenation on Fe(100): A density functional theory study
26. Oriented control of Al locations in the framework of Al-Ge-ITQ-13 for catalyzing methanol conversion to propene
27. Surface morphology of orthorhombic Mo2C catalyst and high coverage hydrogen adsorption
28. Activation mechanisms of H 2 , O 2 , H 2 O, CO 2 , CO, CH 4 and C 2 H x on metallic Mo 2 C(001) as well as Mo/C terminated Mo 2 C(101) from density functional theory computations
29. Morphology control of K2O promoter on Hägg carbide (χ-Fe5C2) under Fischer–Tropsch synthesis condition
30. Co-adsorption and mutual interaction of nCO +mH2 on the Fe(1 1 0) and Fe(1 1 1) surfaces
31. The role of potassium promoter in surface carbon hydrogenation on Hägg carbide surfaces
32. Decomposition mechanism of a cobalt-coordinated phosphite–olefin ligand under irradiation
33. A route to form initial hydrocarbon pool species in methanol conversion to olefins over zeolites
34. On the gas-phase OsOn+ (n=0–3) catalyzed reduction of N2O by H2: A density functional study
35. Stable surface terminations of orthorhombic Mo2C catalysts and their CO activation mechanisms
36. Adsorption and energetics of H2O molecules and O atoms on the χ-Fe5C2 (111), (−411) and (001) surfaces from DFT
37. Molybdenum carbide catalysed hydrogen production from formic acid – A density functional theory study
38. Theoretical studies on acetylene cyclotrimerization into benzene catalyzed by CpIr fragment
39. Density functional theory study into H2O dissociative adsorption on the Fe5C2(010) surface
40. Hydrogen generation from formic acid decomposition on Ni(211), Pd(211) and Pt(211)
41. NMR investigation and theoretical studies on the tautomerism of β,β′-tricarbonyl compounds
42. From sunflower oil toward 1,19-diester: Mechanistic elucidation
43. Surface morphology of Hägg iron carbide (χ-Fe5C2) from ab initio atomistic thermodynamics
44. Fe3O4 surface electronic structures and stability from GGA+U
45. Energetics of Carbon deposition on Fe(100) and Fe(110) surfaces and subsurfaces
46. Synthesis and characterization of permethylated 1,3,5-tri- and 1,3,5,7-tetracarbonyl compounds
47. Synthesis, complexation behavior and application of a new diphosphite ligand in rhodium-catalyzed hydroformylation
48. Chain growth mechanism of Fischer–Tropsch synthesis on Fe5C2(001)
49. Structures and energies of iron promoted γ-Al2O3 surface: A computational study
50. A DFT study on the distributions of Al and Brönsted acid sites in zeolite MCM-22
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