46 results on '"Sit, P. H. -L."'
Search Results
2. FORMATION OF HUMBOLDTINE DURING THE DISSOLUTION OF HEMATITE IN OXALIC ACID – DENSITY FUNCTIONAL THEORY (DFT) CALCULATIONS AND EXPERIMENTAL VERIFICATION
3. Visualizing the mixed bonding properties of liquid boron with high resolution Compton scattering
4. Persistence of Covalent Bonding in Liquid Silicon Probed by Inelastic X-ray Scattering
5. Hydrogen bonding and coordination in normal and supercritical water from X-ray inelastic scattering
6. Structure and energetics of solvated ferrous and ferric ions: Car-Parrinello molecular dynamics in the DFT+U formalism
7. Realistic, quantitative descriptions of electron-transfer reactions: diabatic free-energy surfaces from first-principles molecular dynamics
8. Static and dynamical properties of heavy water at ambient conditions from first-principles molecular dynamics
9. Ab Initio Study of Electron and Hole Polaron Transport in Cobalt(II,III) Oxide Using Oxidation-State Constrained Density Functional Theory.
10. Theoretical study on the aqueous phase oxidation of glyoxalElectronic supplementary information (ESI) available. See DOI: https://doi.org/10.1039/d3ea00049d
11. The Structural Phase Effect of MoS2 in Controlling the Reaction Selectivity between Electrocatalytic Hydrogenation and Dimerization of Furfural.
12. Predicting the Mechanisms for H2O2 Activation and Phenol Oxidation Catalyzed by Modified Graphene-Based Systems Using Density Functional Theory.
13. Study of Energetics of Polaron Dynamics in Monolayer and Bulk MoS2 Using Oxidation-State Constrained Density Functional Theory.
14. Predicting the Mechanisms for H2O2Activation and Phenol Oxidation Catalyzed by Modified Graphene-Based Systems Using Density Functional Theory
15. Why Should Tryptones Rather Than Bovine Serum Albumin Be Used as Model Proteins to Explore the Interactions between Proteins and Pollutants in Environments?
16. High-Performance NaVO3 with Mixed Cationic and Anionic Redox Reactions for Na-Ion Battery Applications.
17. Oxidation-State Constrained Density Functional Theory for the Study of Electron-Transfer Reactions
18. Correction to: Formation of Humboldtine During the Dissolution of Hematite in Oxalic Acid – Density Functional Theory (DFT) Calculations and Experimental Verification
19. First-Principles Understanding of the Staging Properties of the Graphite Intercalation Compounds towards Dual-Ion Battery Applications.
20. Static and dynamical properties of heavy water at ambient conditions from first-principles molecular dynamics.
21. High-Performance NaVO3with Mixed Cationic and Anionic Redox Reactions for Na-Ion Battery Applications
22. Visualizing the mixed bonding properties of liquid boron with high-resolution x-ray Compton scattering
23. Oxidation-State Constrained Density Functional Theory for the Study of Electron-Transfer Reactions.
24. Joint Theoretical and Experimental Study on the Effects of the Salts in the Graphite-Based Dual-Ion Batteries.
25. Na2SeO3: A Na-Ion Battery Positive Electrode Material with High Capacity.
26. Thermodynamic Properties of Hydrogen-Producing Cobaloxime Catalysts: A Density Functional Theory Analysis.
27. Oxygen Reduction Reaction Mechanism of Nitrogen-Doped Graphene Derived from Ionic Liquid.
28. Modulated anodization synthesis of Sn-doped iron oxide with enhanced solar water splitting performance
29. Persistence of Covalent Bonding in Liquid Silicon Probed by Inelastic X-ray Scattering
30. Visualizing the Mixed Bonding Properties of Liquid Boron with High-Resolution X-Ray Compton Scattering
31. Density Functional Theory and Car-Parrinello Molecular Dynamics Study of the Hydrogen-Producing Mechanism of the Co(dmgBF2)2 and Co(dmgH)2 Cobaloxime Complexes in Acetonitrile-Water Solvent.
32. Persistence of Covalent Bonding in Liquid Silicon Probed by Inelastic X-Ray Scattering
33. Ab InitioStudy of Electron and Hole Polaron Transport in Cobalt(II,III) Oxide Using Oxidation-State Constrained Density Functional Theory
34. Realistic Quantitative Descriptions of Electron Transfer Reactions: Diabatic Free-Energy Surfaces from First-Principles Molecular Dynamics
35. Ab Initio Study of Interaction of Water, Hydroxyl Radicals, and Hydroxide Ions with CH3NH3PbI3and CH3NH3PbBr3Surfaces
36. Simple, Unambiguous Theoretical Approach to Oxidation State Determination via First-Principles Calculations.
37. Ab initio study of graphitic-N and pyridinic-N doped graphene for catalytic oxygen reduction reactions.
38. Study of Energetics of Polaron Dynamics in Monolayer and Bulk MoS2Using Oxidation-State Constrained Density Functional Theory
39. Oxidation State Changes and Electron Flow in Enzymatic Catalysis and Electrocatalysis through Wannier‐Function Analysis
40. Quantum Mechanical and Quantum Mechanical/Molecular Mechanical Studies of the Iron−Dioxygen Intermediates and Proton Transfer in Superoxide Reductase
41. Evaluation of Electronic Coupling in Transition-Metal Systems Using DFT: Application to the Hexa-Aquo Ferric−Ferrous Redox Couple
42. Unveiling the Elusive Role of Tetraethyl Orthosilicate Hydrolysis in Ionic-Liquid-Templated Zeolite Synthesis
43. Density Functional Theory Investigation into the Effects of Dissolved Organic Matter on H2O2Activation over α-Fe2O3(001) Surfaces
44. Selective visible light reduction of carbon dioxide over Iridium(III)-terpyridine photocatalysts
45. Quantitative description of electron-transfer reactions from first-principles
46. Na2SeO3: A Na-Ion Battery Positive Electrode Material with High Capacity
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.