28 results on '"Sajid, Hasnain"'
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2. Superalkalides based on stacked janus molecule with improved optical nonlinearity
3. Electrochemical properties of lithium metal doped C60 fullerene for battery applications
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. Electrochemical sensing of heptazine graphitic C3N4 quantum dot for chemical warfare agents; a quantum chemical approach
10. Superhalogen doping of aromatic heterocycles; effective approach for the enhancement of static and dynamic NLO response
11. Potential sensing of toxic chemical warfare agents (CWAs) by twisted nanographenes: A first principle approach
12. First-principles study for electrochemical sensing of neurotoxin hydrazine derivatives via h-g-C3N4 quantum dot
13. Sensing behaviour of monocyclic C18 and B9N9 analogues toward chemical warfare agents (CWAs); quantum chemical approach
14. DFT outcome for comparative analysis of Be12O12, Mg12O12 and Ca12O12 nanocages toward sensing of N2O, NO2, NO, H2S, SO2 and SO3 gases
15. 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
16. Sensing of SO3, SO2, H2S, NO2 and N2O toxic gases through aza-macrocycle via DFT calculations
17. Nano-porous C4N as a toxic pesticide's scavenger: A quantum chemical approach
18. A first principles study on electrochemical sensing of highly toxic pesticides by using porous C4N nanoflake
19. Novel microporous B6N6 covalent organic framework (COF) as an electrochemical sensor for the ultra-selective detection of nitroaniline isomers; a DFT outcome
20. Effect of fluorination on the adsorption properties of aromatic heterocycles toward methyl halides: A quantum chemical study
21. 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
22. Quantum chemical study on sensing of NH3, NF3, NCl3 and NBr3 by using cyclic tetrapyrrole
23. Hydrogen adsorption on Ge52−, Ge92− and Sn92− Zintl clusters: A DFT study
24. High sensitivity of graphdiyne nanoflake toward detection of phosgene, thiophosgene and phosogenoxime; a first-principles study
25. Adsorption behaviour of chronic blistering agents on graphdiyne; excellent correlation among SAPT, reduced density gradient (RDG) and QTAIM analyses
26. High selectivity of cyclic tetrapyrrole over tetrafuran and tetrathiophene toward toxic chemicals; A first-principles study
27. Cyclic versus straight chain oligofuran as sensor: A detailed DFT study
28. Highly selective acridinium based cyanine dyes for the detection of DNA base pairs (adenine, cytosine, guanine and thymine)
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