244 results on '"Maihom, Thana"'
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2. Predicting transition state and activation energies in n-hexane cracking over zeolites: Combined DFT calculations and estimations with the SISSO method
3. A polarizable valence electron density based force field for high-energy interactions between atoms and molecules.
4. Cooperative Brønsted-Lewis acid sites created by phosphotungstic acid encapsulated metal–organic frameworks for selective glucose conversion to 5-hydroxymethylfurfural
5. Sensing the ortho Positions in C6Cl6 and C6H4Cl2 from Cl2− Formation upon Molecular Reduction
6. Theoretical insights into poly(ethylene terephthalate) glycolysis catalyzed by acid-base pairs in Zn-supported MOF-808 metal-organic framework
7. Highly efficient propane dehydrogenation promoted by reverse water–gas shift reaction on Pt-Zn alloy surfaces
8. Insights into glyphosate adsorption on Lewis acidic zeolites from theoretical modelling
9. Structure to Property: Chemical Element Embeddings for Predicting Electronic Properties of Crystals.
10. Insights into Carbon Dioxide Capture over Glycine‐Functionalized Metal–Organic Framework‐808 from DFT Calculations.
11. A Polarizable Valence Electron Density Based Force Field for High-Energy Interactions between Atoms and Molecules
12. First-Principle study of lithium polysulfide adsorption on heteroatom doped graphitic carbon nitride for Lithium-Sulfur batteries
13. Theoretical study of fructose adsorption and conversion to trioses on metal–organic frameworks
14. The influence of cation exchange and tetravalent metal substitutions in Lewis acidic BEA zeolites for phenol adsorption and Tautomerization: A computational study
15. Theoretical study of fructose adsorption and conversion to trioses on metal–organic frameworks.
16. Density functional study of the effect of cation exchanged Sn-Beta zeolite for the diels-alder reaction between furan and methyl acrylate
17. Single-atoms supported (Fe, Co, Ni, Cu) on graphitic carbon nitride for CO2 adsorption and hydrogenation to formic acid: First-principles insights
18. Theoretical insights into poly(ethylene terephthalate) glycolysis catalyzed by acid-base pairs in Zn-supported MOF-808 metal-organic framework
19. Structure to Property: Machine Learning Methods for Predicting Electronic Properties of Crystals
20. Adsorption and dehydration of ethanol on isomorphously B, Al, and Ga substituted H-ZSM-5 zeolite: an embedded ONIOM study
21. Electronic structure and reactivity of tirapazamine as a radiosensitizer
22. Layered manganese oxide nanosheets coated on N-doped graphene aerogel for hydrazine detection: Reaction mechanism investigated by in situ electrochemical X-ray absorption spectroscopy
23. Density Functional and Coupled Cluster Study on the Conversion of Ethanol to Acetaldehyde on Isolated Zinc Sites Supported on Dealuminated BEA Zeolite
24. Combined Experimental and Theoretical Study of the Synthesis of 5,7-Dihydroxy-4-methylcoumarin via a Pechmann Condensation in the Presence of UiO-66-SO3H Catalysts.
25. Computational study of the conversion of methane and carbon dioxide to acetic acid over NU-1000 metal–organic framework-supported single-atom metal catalysts
26. The coumarin synthesis: a combined experimental and theoretical study
27. Theoretical mechanistic study of the ethylene oxidation over permanganate: effect of BF3 Lewis acid
28. Catalytic Hydrogenolysis of Lignin into Phenolics by Internal Hydrogen over Ru Catalyst
29. Novel Hybrid Energy Conversion and Storage Cell with Photovoltaic and Supercapacitor Effects in Ionic Liquid Electrolyte
30. Chemical Adsorption and Physical Confinement of Polysulfides with the Janus-faced Interlayer for High-performance Lithium-Sulfur Batteries
31. Aluminum‐Containing Metal‐Organic Frameworks as Selective and Reusable Catalysts for Glucose Isomerization to Fructose
32. Mechanism of transfer hydrogenation of carbonyl compounds by zirconium and hafnium-containing metal-organic frameworks
33. Density functional study of the activity of gold-supported ZSM-5 zeolites for nitrous oxide decomposition
34. Cooperative Brønsted-Lewis acid sites created by phosphotungstic acid encapsulated metal–organic frameworks for selective glucose conversion to 5-hydroxymethylfurfural
35. Aluminum‐based Metal‐Organic Framework as Water‐tolerant Lewis Acid Catalyst for Selective Dihydroxyacetone Isomerization to Lactic Acid
36. Microcracking of Ni-rich layered oxide does not occur at single crystal primary particles even abused at 4.7 V
37. Aluminum‐Based Metal‐Organic Framework Support Metal(Ii)-Hydride as Catalyst for the Hydrogenation of Carbon Dioxide to Formic Acid: A Computational Study
38. New Horizons in Propane Dehydrogenation Promoted By Reverse Water-Gas Shift Reaction On Pt-Zn Alloy Surfaces
39. Coordination polymer-forming liquid Cu(2-isopropylimidazolate)
40. Insights into Glyphosate Adsorption on Lewis Acidic Zeolites from Theoretical Modelling
41. Understanding the interactions between lithium polysulfides and anchoring materials in advanced lithium–sulfur batteries using density functional theory
42. Modulating the catalytic activity of metal-organic frameworks for CO oxidation with N2O through an oriented external electric field
43. Sensing the ortho Positions in C 6 Cl 6 and C 6 H 4 Cl 2 from Cl 2 − Formation upon Molecular Reduction.
44. Electron impact ionization cross sections of beryllium and beryllium hydrides
45. Adsorption and Dehydration Reaction of Ethanol to Ethylene on Isomorphous B, Al, and Ga Substitution of H-ZSM-5 Zeolite: An Embedded ONIOM Study
46. Density Functional Investigation of the Conversion of Furfural to Furfuryl Alcohol by Reaction with i-Propanol over UiO-66 Metal–Organic Framework
47. Theoretical insights into furfural reduction to furfuryl alcohol via the catalytic hydrogen transfer reaction catalyzed by cations exchanged zirconium-containing zeolites
48. Metal triflate formation of C12–C22 phenolic compounds by the simultaneous C–O breaking and C–C coupling of benzyl phenyl ether
49. Effects of single and double active sites of Cu oxide clusters over the MFI zeolite for direct conversion of methane to methanol: DFT calculations
50. Effect of Intercalants inside Birnessite-Type Manganese Oxide Nanosheets for Sensor Applications
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