214 results on '"Kosar, Naveen"'
Search Results
2. Sensing Performance of Heptazine-Based C3N4 Quantum Dot Toward Highly Toxic Environmental Pollutants, Amides, and Acetyl Derivatives
3. Quantum chemical exploration of B2C2N2 nanosheet as anticancer drug delivery substrate
4. Harnessing halides: Comparative study of oxide fullerene modifications for sodium ion secondary battery efficiency
5. Modification of the N-methyl-4,5-diazacarbazole D-π-A with a π-conjugated bridge to enhance excited-state properties for superior utilization in green energy applications: A theoretical approach
6. Exploration of sensing behavior B3O3 quantum dot toward methyl halides; a quantum chemical approach
7. Electrochemical properties of lithium metal doped C60 fullerene for battery applications
8. Tailoring Si12C12 nanocluster with late first-row transition metals: A promising approach during single-atom catalysis toward hydrogen evolution reaction (HER)
9. Mechanistic enhanced cell voltage based on halides doped metal oxide fullerenes for use in Li-ion batteries: Insights from DFT intuition
10. Frequency-dependent nonlinear optical response and refractive index investigation of lactone-derived thermochromic compounds
11. Determination of bandgap of period 3, 4, and 5 transition metal dopants on zinc oxide using an artificial neural network based approach
12. Reversible H2 Storage Capacity of Ni Functionalized Carbyne (C10) Complex
13. Giant NLO response and deep ultraviolet transparency of dual (alkali/alkaline earth) metals doped C6O6Li6 electrides
14. Superalkalis fabricated Te-containing [8]circulenes as outstanding NLO materials; a DFT perspective
15. First, second and third order NLO response of alkaline earth metals doped C6O6Li6 organometallic complexes
16. Excellent Static and dynamic hyperpolarizabilities of TM@C6O6Li6 (TM = Sc, Ti, V, Cr and Mn) complexes to prove their NLO applications
17. NLO properties and electride characteristics of superalkalis doped all-cis-1,2,3,4,5,6-hexafluorocyclohexane complexes
18. Quantum chemical hydrogenolysis strategy for elimination of heteroatoms in biomass homologous organic compounds based on oxolane and thiolane
19. Static, dynamic nonlinear optical (NLO) response and electride characteristics of superalkalis doped star like C6S6Li6
20. DFT studies on electrochemical properties of halide ions doped GDY-28 nanoflake for Na-ion battery applications
21. Shedding light on static and dynamic hyperpolarizabilities of thia[7&8]circulenes, toward their NLO applications
22. Synthesis, structural properties and potent bioactivities supported by molecular docking and DFT studies of new hydrazones derived from 5-chloroisatin and 2-thiophenecarboxaldehyde
23. Amplifying the Nonlinear Optical Response of Sunflower-Like C16S8 through Superhalogen Doping
24. SAR, Molecular Docking and Molecular Dynamic Simulation of Natural Inhibitors against SARS-CoV-2 Mpro Spike Protein
25. Facile synthesis of 4-aryl-N-(5-methyl-1H-pyrazol-3-yl)benzamides via Suzuki Miyaura reaction: Antibacterial activity against clinically isolated NDM-1-positive bacteria and their Docking Studies
26. DFT studies of single and multiple alkali metals doped C24 fullerene for electronics and nonlinear optical applications
27. Theoretical modification of C24 fullerene with single and multiple alkaline earth metal atoms for their potential use as NLO materials
28. Storage and permeation of hydrogen molecule, atom and ions (H+ and H−) through silicon carbide nanotube; a DFT approach
29. Surface functionalization of twisted graphene C32H15 and C104H52 derivatives with alkalis and superalkalis for NLO response; a DFT study
30. Amplifying the nonlinear optical response of sunflower-like C16S8 through superhalogen doping.
31. Nonlinear optical response of sodium based superalkalis decorated graphdiyne surface: A DFT study
32. Theoretical study on novel superalkali doped graphdiyne complexes: Unique approach for the enhancement of electronic and nonlinear optical response
33. Theoretical investigation on radical anion promoted electrocyclization in photochromes
34. Outstanding NLO response of thermodynamically stable single and multiple alkaline earth metals doped C20 fullerene
35. Alkaline earth metal decorated phosphide nanoclusters for potential applications as high performance NLO materials; A first principle study
36. Design of novel inorganic alkaline earth metal doped aluminum nitride complexes (AEM@Al12N12) with high chemical stability, improved electronic properties and large nonlinear optical response
37. Significant nonlinear optical response of alkaline earth metals doped beryllium and magnesium oxide nanocages
38. Structural, spectroscopic and nonlinear optical properties of sulfonamide derivatives; experimental and theoretical study
39. Design of novel superalkali doped silicon carbide nanocages with giant nonlinear optical response
40. Unveiling the Potential of B3O3 Nanoflake as Effective Transporter for the Antiviral Drug Favipiravir: Density Functional Theory Analysis
41. Supramolecular Assemblies of 3/4-Chlorobenzoic Acid and Amino-Chloropyridine Derivatives: Synthesis, X-ray Diffraction, DFT Calculations, and Biological Screening
42. Doping superalkali on Zn12O12 nanocage constitutes a superior approach to fabricate stable and high-performance nonlinear optical materials
43. Unparalleled single-atom catalytic efficiency of TM@Al12P12 (TM = Fe, Co, Ni, Cu) nanoclusters toward oxygen evolution reaction (OER)
44. Superalkalis as a source of diffuse excess electrons in newly designed inorganic electrides with remarkable nonlinear response and deep ultraviolet transparency: A DFT study
45. Decorating Mg12O12 Nanocage with Late First-Row Transition Metals To Act as Single-Atom Catalysts for the Hydrogen Evolution Reaction
46. Outstanding NLO response of K3O@thia[n]circulenes; a DFT and molecular dynamics perspective
47. Role of dispersion corrected hybrid GGA class in accurately calculating the bond dissociation energy of carbon halogen bond: A benchmark study
48. Role of Delocalization, Asymmetric Distribution of π-Electrons and Elongated Conjugation System for Enhancement of NLO Response of Open Form of Spiropyran-Based Thermochromes
49. Structural, Non-linear optical Response and Ultraviolet Transparency of Superalkalis (Li3O, Na3O, K3O)-doped Bowel shape Silicon Carbide Nanoclusters
50. Sensing Performance of Heptazine-Based C3N4 Quantum Dot Toward Highly Toxic Environmental Pollutants, Amides, and Acetyl Derivatives
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.