123 results on '"Chihaia, Viorel"'
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2. Physicochemical Characterization of Ca- and Cu-Decorated TiO 2 Microparticles and Investigation of Their Antimicrobial Properties.
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3. Monolayer transition-metal dichalcogenides with polyethyleneimine adsorption
4. Enhancing hydrogen storage by metal substitution in MIL-88A metal-organic framework
5. Unravelling the effects of functional groups on the adsorption of 2-mercaptobenzothiazole on a copper surface: a DFT study
6. Mechanisms and selectivity of methanol oxidation on PtRuM3/C-MWCNT (M = Fe and Co) electrocatalysts.
7. Hydrogen storage in M(BDC)(TED)0.5 metal–organic framework: physical insights and capacities.
8. Computational Prediction of Electrochemical Corrosion Rates of Copper in the Presence of Corrosion Inhibitors
9. Magnetic anisotropy of ultrathin Pd4Co(111) film by first-principles calculations
10. Hydrogen storage in MIL-88 series
11. Carbon dioxide conversion to methanol on a PdCo bimetallic catalyst.
12. Influences of Electrode Potential on Mechanism of Oxygen Reduction Reaction on Pd-Skin/Pd3Fe(111) Electrocatalyst: Insights from DFT-Based Calculations
13. Effects of functional groups in iron porphyrin on the mechanism and activity of oxygen reduction reaction
14. Theoretical investigation of CO2 capture in the MIL-88 series: effects of organic linker modification
15. Bandgap engineering of germanene for gas sensing applications
16. Mathematical Chemistry Approaches for Computer-Aid Design of Free-Shaped Structures in Architecture and Construction Engineering
17. Antimicrobial Properties of TiO2 Microparticles Coated with Ca- and Cu-Based Composite Layers
18. Insights into Interaction of CO\(_2\) with N and B-doped Graphenes
19. Theoretical investigation of CO2 capture in the MIL-88 series: effects of organic linker modification.
20. Physical insights into the Au growth on the surface of a LaAlO3/SrTiO3 heterointerface
21. Selectivity of volatile organic compounds on the surface of zinc oxide nanosheets for gas sensors
22. Mechanism of Oxygen Reduction Reaction on Monolayer WTe2 with and without S Dopant at Low Coverage
23. Preliminary Study on Light-Activated Antimicrobial Agents as Photocatalytic Method for Protection of Surfaces with Increased Risk of Infections
24. Experimental and Computational Insights into the Effects of -NH2and -Cl Functional Groups on the Copper Corrosion Inhibition by Benzotriazole
25. Interactions of methane, ethane and pentane with the (110C) surface of γ-alumina
26. The energetic and electronic properties of atomic hydrogen on MgO(001) surface: Tight-binding and Ab initio calculations
27. Antimicrobial Properties of TiO 2 Microparticles Coated with Ca- and Cu-Based Composite Layers.
28. Physical insights into the Au growth on the surface of a LaAlO3/SrTiO3 heterointerface.
29. Simulation studies of nearest-neighbor distribution functions and related structural properties for hard-sphere systems
30. Polymorphism of chitosan-based networks stabilized by phytate investigated by molecular dynamics simulations
31. How do the doping concentrations of N and B in graphene modify the water adsorption?
32. N-type and p-type molecular doping on monolayer MoS2
33. Molecular dynamics simulations of properties of a (0 0 1) methane clathrate hydrate surface
34. Influence of water molecules arrangement on structure and stability of 5 12 and 5 126 2 buckyball water clusters. A theoretical study
35. Assessment of the Heat Capacity by Thermodynamic Approach Based on Density Functional Theory Calculations
36. Electronic and optical properties of monolayer MoS2under the influence of polyethyleneimine adsorption and pressure
37. Mechanism and activity of the oxygen reduction reaction on WTe2 transition metal dichalcogenide with Te vacancy
38. N-type and p-type molecular doping on monolayer MoS2.
39. Mechanism and activity of the oxygen reduction reaction on WTe2 transition metal dichalcogenide with Te vacancy.
40. Electronic and optical properties of monolayer MoS2 under the influence of polyethyleneimine adsorption and pressure.
41. Hydrogen storage in MIL-88 series
42. Magnetic anisotropy of ultrathin Pd 4 Co(111) film by first-principles calculations
43. Density functional study of the thermodynamic properties and phase diagram of the magnesium hydride
44. Hydrogen bonded network properties in liquid formamide.
45. Simultaneous adsorption of SO2 and CO2 in an Ni(bdc)(ted)0.5 metal–organic framework
46. A computational approach towards understanding hydrogen gas adsorption in Co–MIL-88A
47. Simultaneous adsorption of SO2 and CO2 in an Ni(bdc)(ted)0.5 metal–organic framework.
48. Effects of Co Content in Pd-Skin/PdCo Alloys for Oxygen Reduction Reaction: Density Functional Theory Predictions
49. Theoretical study on the effects of the magnesium hydride doping with cobalt and nickel on the hydrogen release
50. Influences of Electrode Potential on Mechanism of Oxygen Reduction Reaction on Pd-Skin/PdFe(111) Electrocatalyst: Insights from DFT-Based Calculations.
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