32 results on '"Sajid, Hasnain"'
Search Results
2. 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
3. An electrochemical sensing potential of cobalt oxide nanoparticles towards citric acid integrated with computational approach in food and biological media
4. Solvent efficiency and role of dispersion and electrostatic forces for chiral discrimination of sulfur-containing amino acids by tetra-protonated CBPQT macrocycle
5. Frequency-dependent nonlinear optical response and refractive index investigation of lactone-derived thermochromic compounds
6. Enhanced nonlinear optical response of alkalides based on stacked Janus all-cis-1,2,3,4,5,6-hexafluorocyclohexane
7. Superalkalis fabricated Te-containing [8]circulenes as outstanding NLO materials; a DFT perspective
8. Therapeutic potential of oxo-triarylmethyl (oxTAM) as a targeted drug delivery system for nitrosourea and fluorouracil anticancer drugs; A first principles insight
9. Boron-rich triphenylene COF based electrides having excellent nonlinear optical activity
10. Therapeutic efficiency of B3O3 quantum dot as a targeted drug delivery system toward Foscarnet anti-HIV drug
11. High drug carrying efficiency of boron-doped Triazine based covalent organic framework toward anti-cancer tegafur; a theoretical perspective
12. Electrochemical sensing of heptazine graphitic C3N4 quantum dot for chemical warfare agents; a quantum chemical approach
13. Superhalogen doping of aromatic heterocycles; effective approach for the enhancement of static and dynamic NLO response
14. Sensing behaviour of monocyclic C18 and B9N9 analogues toward chemical warfare agents (CWAs); quantum chemical approach
15. First-principles study for electrochemical sensing of neurotoxin hydrazine derivatives via h-g-C3N4 quantum dot
16. Potential sensing of toxic chemical warfare agents (CWAs) by twisted nanographenes: A first principle approach
17. DFT outcome for comparative analysis of Be12O12, Mg12O12 and Ca12O12 nanocages toward sensing of N2O, NO2, NO, H2S, SO2 and SO3 gases
18. Highly accurate DFT investigation for triggering the ultra-strong static and dynamic nonlinear optical properties of superalkali doped aminated graphdiyne (NH2-GDY) donor-π-acceptor (D-π-A) quantum dots
19. Nano-porous C4N as a toxic pesticide's scavenger: A quantum chemical approach
20. Sensing of SO3, SO2, H2S, NO2 and N2O toxic gases through aza-macrocycle via DFT calculations
21. A first principles study on electrochemical sensing of highly toxic pesticides by using porous C4N nanoflake
22. Novel microporous B6N6 covalent organic framework (COF) as an electrochemical sensor for the ultra-selective detection of nitroaniline isomers; a DFT outcome
23. Effect of fluorination on the adsorption properties of aromatic heterocycles toward methyl halides: A quantum chemical study
24. A DFT study on M3O (M = Li & Na) doped triphenylene and its amino-, hydroxy- and thiol-functionalized quantum dots for triggering remarkable nonlinear optical properties and ultra-deep transparency in ultraviolet region
25. Quantum chemical study on sensing of NH3, NF3, NCl3 and NBr3 by using cyclic tetrapyrrole
26. Hydrogen adsorption on Ge52−, Ge92− and Sn92− Zintl clusters: A DFT study
27. High sensitivity of graphdiyne nanoflake toward detection of phosgene, thiophosgene and phosogenoxime; a first-principles study
28. Adsorption behaviour of chronic blistering agents on graphdiyne; excellent correlation among SAPT, reduced density gradient (RDG) and QTAIM analyses
29. Cyclic versus straight chain oligofuran as sensor: A detailed DFT study
30. High selectivity of cyclic tetrapyrrole over tetrafuran and tetrathiophene toward toxic chemicals; A first-principles study
31. Highly selective acridinium based cyanine dyes for the detection of DNA base pairs (adenine, cytosine, guanine and thymine)
32. High sensitivity of polypyrrole sensor for uric acid over urea, acetamide and sulfonamide: A density functional theory study
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.