115 results on '"Rivas-Silva, J. F."'
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2. Investigation on the structural, elastic, electronic, and magnetic properties of half-metallic Co2MnSi and CoMnIrSi via first-principles calculations
3. Study of weak interactions of boron nitride nanotubes with anticancer drug by quantum chemical calculations
4. On the Calculation of Rotational Constants of Interstellar Molecules
5. Ferromagnetic half-metallicity of the cubic NaMgO3 perovskite: from bulk to (001) surfaces
6. A new family of NaTMGe (TM = 3d transition metals) half-Heusler compounds: the role of TM modification
7. First‐principles investigation of the (HfSe 2 )4− n–(HfSSe)n( n = 0, 1, 2, 3, 4) lateral heterostructures
8. Theoretical prediction of alkali oxide M2O (M = Na and K) monolayers and formation of their Janus structure.
9. Nitrogen doping and oxygen vacancy effects on the fundamental properties of BeO monolayer: a DFT study
10. Encapsulation of Pollutant Gaseous Molecules by Adsorption on Boron Nitride Nanotubes: A Quantum Chemistry Study
11. Feature‐rich structural, electronic, magnetic and optical properties of the fluorine‐ and nitrogen‐incorporated CaF 2 compound
12. Tuning MoSO monolayer properties for optoelectronic and spintronic applications: effect of external strain, vacancies and doping
13. First‐principles investigation of the (HfSe2)4−n–(HfSSe)n (n = 0, 1, 2, 3, 4) lateral heterostructures.
14. Fluorinating the graphene-like BeO monolayer: A spin-polarized first principles study of the electronic, magnetic and optical properties
15. Pressure effects on the electronic, magnetic, thermoelectric, and thermodynamic properties of Mn2CoSi half‐metallic compound
16. Computational prediction of the spin-polarized semiconductor equiatomic quaternary Heusler compound MnVZrP as a spin-filter
17. Structural, electronic and optical properties of pristine and functionalized MgO monolayers: a first principles study
18. Structural and electronic properties of chemically functionalized SnC monolayer: a first principles study
19. Ferromagnetic half-metallicity of the cubic NaMgO3 perovskite: from bulk to (001) surfaces.
20. Tuning MoSO monolayer properties for optoelectronic and spintronic applications: effect of external strain, vacancies and doping.
21. Feature‐rich structural, electronic, magnetic and optical properties of the fluorine‐ and nitrogen‐incorporated CaF2 compound.
22. On the Calculation of Rotational Constants of Interstellar Molecules
23. Comparing two high correlation models to test the mechanical stability of americium-II
24. Pressure effects on the electronic, magnetic, thermoelectric, and thermodynamic properties of Mn 2 CoSi half‐metallic compound.
25. Investigation on the structural, elastic, electronic, and magnetic properties of half-metallic $$\hbox {Co}_{2}\hbox {MnSi}$$ Co 2 MnSi and CoMnIrSi via first-principles calculations
26. Confined helium atom low-lying S states analyzed through correlated Hylleraas wave functions and the Kohn-Sham model.
27. Effects of electron doping on the stability of the metal hydride NaH
28. Mn Adsorption on the GaAs(111)–(2×2)B Surface: First Principles Studies
29. Mn Adsorption on the GaAs(111)-(2×2)B Surface: First Principles Studies.
30. Uranyl complexes formed with a para-t-butylcalix[4]arene bearing phosphinoyl pendant arms on the lower rim. Solid and solution studies
31. Kondo‐like resonance in ZnO:Eu
32. Stability and Physicochemical Principles for Icosahedral Ti12X (X = Li to Xe) Clusters: A DFT Study
33. Monte Carlo Simulation of Visible Light Diffuse Reflection in Neonatal Skin
34. LSDA+U APPROXIMATION-BASED ANALYSIS OF THE ELECTRONIC STRUCTURE OF CeFeGe3
35. Modeling of Light Reflection from Human Skin
36. Ab initio density functional study of MgO (001) surface with topological defects
37. Ab initio analysis of some fluoride and oxide structures doped with Pr and Yb
38. Theoretical study ofp-methacryloyl-aminophenylarsonic acid
39. Theoretical explanation of the quenching of luminescence in cerium-doped ytterbium oxyorthosilicate
40. Ab initio calculations for absorption and emission energies of alkali halide crystals doped with thallium
41. Variational description of the 3-body Coulomb problem through a correlated Eckart-Gaussian wavefunction
42. Cluster models of ionic crystals: Band gaps
43. Stokes shifts in TI-doped alkali halides
44. The helium atom in its ground state embedded in strong magnetic fields
45. Amplitude squared squeezed states in the Fock-Bargmann space
46. Squeezed states and the Franck-Condon overlap
47. Improving an algebraic approach to calculate approximate Franck-Condon factors of diatomic molecules
48. Algebraic approximation to the Franck–Condon factors for the Morse oscillator
49. Kondo-like resonance in ZnO:Eu.
50. Calculating energy spectrum of one-dimensional quantum systems with rational potentialP(X)/Q(X)
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