242 results on '"Hernández-Laguna, Alfonso"'
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2. Intercalation of sulfonamides in montmorillonite by molecular dynamics and DFT calculations for bioavailability control
3. Compressional behavior of the aragonite-structure carbonates to 6 GPa
4. Adsorption of Ciprofloxacin on Clay Minerals in Argentinian Santa Rosa-Corrientes Soils
5. Structure and Intercalation of Cysteine–Asparagine–Serine Peptide into Montmorillonite as an Anti-Inflammatory Agent Preparation—A DFT Study.
6. Kinetic Study and Reaction Mechanism of the Gas-Phase Thermolysis Reaction of Methyl Derivatives of 1,2,4,5-Tetroxane.
7. DFT study of electronic and redox properties of TiO2 supported on olivine for modelling regolith on Moon and Mars conditions
8. AWESoMe 1.1: A code for the calculation of phase and group velocities of acoustic waves in homogeneous solids
9. Intercalation of sulfonamides in montmorillonite experimental along with molecular dynamics and DFT calculations for bioavailability control
10. Intercalation of sulfonamides in montmorillonite by molecular dynamics and DFT calculations for bioavailability control
11. Compressional behavior of the aragonite-structure carbonates to 6 GPa
12. Compressibility of 2M1 muscovite-phlogopite series minerals
13. Intercalation of Sulfonamides in Montmorillonite by Molecular Dynamics and DFT Calculations for Bioavailability Control
14. Theoretical study of the gas-phase thermolysis reaction of 3,6-dimethyl-1,2,4,5-tetroxane. Methyl and axial-equatorial substitution effects
15. 2M1 phlogopite–muscovite series minerals at increasing pressure to 9 GPa. I Atomic volumes and compressibilities.
16. AWESoMe: A code for the calculation of phase and group velocities of acoustic waves in homogeneous solids
17. Compressional behavior of the aragonite-structure carbonates to 6 GPa.
18. Effect of Iron Isomorphic Substitution in Mg:Al and Zn:Al-Layered Double-Hydroxide Structures by Means of First Principle Calculations
19. Molecular modeling and infrared and Raman spectroscopy of the crystal structure of the chiral antiparasitic drug Praziquantel
20. Melatonin/nanoclay hybrids for skin delivery
21. Effect of Iron Isomorphic Substitution in Mg:Al and Zn:Al-Layered Double-Hydroxide Structures by Means of First Principle Calculations
22. Effects of the cation ordering in Mg:Al and Zn:Al layered double hydroxides on crystallographic and spectroscopical properties by means of first principles calculations
23. Effects of the cation ordering in Mg:Al and Zn:Al layered double hydroxides on crystallographic and spectroscopical properties by means of first principles calculations
24. Gas-phase thermolysis reaction of formaldehyde diperoxide. Kinetic study and theoretical mechanisms
25. Melatonin/nanoclay hybrids for skin delivery
26. Morphology alteration of nickel microstructures for glycerol electrooxidation
27. Theoretical study of the gas-phase thermolysis of 3-methyl-1,2,4,5-tetroxane
28. DFT study of the mechanism of the reaction of aminoguanidine with methylglyoxal
29. A Theoretical Study of Histamine Monocation and Some Derivatives as H2-Receptor Agonists
30. Fundamentals of Ab Initio calculations
31. A comparative DFT study of the Schiff base formation from acetaldehyde and butylamine, glycine and phosphatidylethanolamine
32. Dehydroxylation mechanisms in Al 3+/Fe 3+ dioctahedral phyllosilicates by quantum mechanical methods with cluster models
33. Abiotic production of oxygen precursors from the interaction of calcium perchlorate with olivine surface: Implications to formation of Martians regolith
34. DFT Study of the Hydrolysis reaction on Cluster Models simulating (001) and (010) surfaces of Phyllosilicates
35. DFT study of the cation arrangements in the octahedral and tetrahedral sheets of dioctahedral 2:1 phyllosilicates
36. Modeling of the adsorption of a protein-fragment on kaolinite with potential antiviral activity
37. DFT study of the reduction reaction of calcium perchlorate on olivine surface: Implications to formation of Martian's regolith
38. Modeling of the adsorption of a protein-fragment on kaolinite with potential antiviral activity
39. Theoretical study of the hydrogen bonding and infrared spectroscopy in the cis-vacant polymorph of dioctahedral 2:1 phyllosilicates
40. DFT study of the reduction reaction of calcium perchlorate on olivine surface: Implications to formation of Martian’s regolith
41. Theoretical study of the gas-phase thermolysis reaction of 3,6-dimethyl-1,2,4,5-tetroxane. Methyl and axial-equatorial substitution effects
42. Compressibility of 2M 1 muscovite-phlogopite series minerals
43. DFT study of Ni segregation at the B2-NiTi(110)/rutile-TiO2(110) interface
44. DFT study of electronic and redox properties of TiO2 supported on olivine for modelling regolith on Moon and Mars conditions
45. Adsorption of 5-aminosalicylic acid on kaolinite surfaces at a molecular level
46. Illitización hidrotermal de esmectita en el sitema (NH4)O-Al2O3-SiO2-H2O: influencia de la presencia de amonio
47. Adsorption of 5-aminosalicylic acid on kaolinite surfaces at a molecular level
48. Conformational polymorphic changes in the crystal structure of the chiral antiparasitic drug praziquantel and interactions with calcium carbonate
49. A DFT Study of the Amadori Rearrangement above a Phosphatidylethanolamine Surface: Comparison to Reactions in Aqueous Environment
50. Vibrations of H+(D+) in stoichiometric LiNbO3 single crystal.
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