136 related articles for article (PubMed ID: 37809028)
1. Robust and facile detection of formaldehyde through transition metals doped olympicene sensors: a step forward DFT investigation.
Aetizaz M; Ullah F; Sarfaraz S; Mahmood T; Ayub K
RSC Adv; 2023 Oct; 13(42):29231-29241. PubMed ID: 37809028
[TBL] [Abstract][Full Text] [Related]
2. Adsorption of Industrial Gases (CH
Sohail U; Ullah F; Mahmood T; Muhammad S; Ayub K
ACS Omega; 2022 Jun; 7(22):18852-18860. PubMed ID: 35694488
[TBL] [Abstract][Full Text] [Related]
3. Efficient Detection of Nerve Agents through Carbon Nitride Quantum Dots: A DFT Approach.
Al-Faiyz YSS; Sarfaraz S; Yar M; Munsif S; Khan AA; Amin B; Sheikh NS; Ayub K
Nanomaterials (Basel); 2023 Jan; 13(2):. PubMed ID: 36678006
[TBL] [Abstract][Full Text] [Related]
4. Covalent Triazine Framework C
Hammud HH; Yar M; Bayach I; Ayub K
Nanomaterials (Basel); 2023 Mar; 13(6):. PubMed ID: 36986015
[TBL] [Abstract][Full Text] [Related]
5. Theoretical design of transition metal-doped oxo-triarylmethyl as a disposable platform for adsorption of ibuprofen.
Kaviani S; Khajavian M; Piyanzina I; Nedopekin OV; Tayurskii DA
J Mol Graph Model; 2024 Jan; 126():108647. PubMed ID: 37832342
[TBL] [Abstract][Full Text] [Related]
6. DFT, QTAIM, and NBO investigations of the ability of the Fe or Ni doped CNT to absorb and sense CO and NO.
Zhang X; Gong X
J Mol Model; 2015 Sep; 21(9):225. PubMed ID: 26254940
[TBL] [Abstract][Full Text] [Related]
7. DFT study of alkali and alkaline earth metal-doped benzocryptand with remarkable NLO properties.
Maqsood N; Asif A; Ayub K; Iqbal J; Elnaggar AY; Mersal GAM; Ibrahim MM; El-Bahy SM
RSC Adv; 2022 May; 12(25):16029-16045. PubMed ID: 35733683
[TBL] [Abstract][Full Text] [Related]
8. Triazine based fluorescent sensor for sequential detection of Hg
Irshad H; Assiri MA; Khadija ; Rafique S; Khan AM; Imran M; Shahzad SA
Spectrochim Acta A Mol Biomol Spectrosc; 2023 Nov; 300():122934. PubMed ID: 37270970
[TBL] [Abstract][Full Text] [Related]
9. A theoretical study of allopurinol drug sensing by carbon and boron nitride nanostructures: DFT, QTAIM, RDG, NBO and PCM insights.
Miah MH; Hossain MR; Islam MS; Ferdous T; Ahmed F
RSC Adv; 2021 Nov; 11(61):38457-38472. PubMed ID: 35493251
[TBL] [Abstract][Full Text] [Related]
10. Computational investigation of a covalent triazine framework (CTF-0) as an efficient electrochemical sensor.
Sarfaraz S; Yar M; Ans M; Gilani MA; Ludwig R; Hashmi MA; Hussain M; Muhammad S; Ayub K
RSC Adv; 2022 Jan; 12(7):3909-3923. PubMed ID: 35425404
[TBL] [Abstract][Full Text] [Related]
11. Effect of the Intramolecular Hydrogen Bond on the Active Metabolite Analogs of Leflunomide for Blocking the Plasmodium falciparum Dihydroorotate Dehydrogenase Enzyme: QTAIM, NBO, and Docking Study.
Heidarian R; Zahedi-Tabrizi M
Curr Comput Aided Drug Des; 2021; 17(3):480-491. PubMed ID: 32459610
[TBL] [Abstract][Full Text] [Related]
12. Azo-methoxy-calix[4]arene complexes with metal cations for chemical sensor applications: Characterization, QTAIM analyses and dispersion-corrected DFT- computations.
Gassoumi B; Echabaane M; Ben Mohamed FE; Nouar L; Madi F; Karayel A; Ghalla H; Castro ME; Melendez FJ; Özkınalı S; Rouis A; Ben Chaabane R
Spectrochim Acta A Mol Biomol Spectrosc; 2022 Jan; 264():120242. PubMed ID: 34358783
[TBL] [Abstract][Full Text] [Related]
13. Effective adsorption of A-series chemical warfare agents on graphdiyne nanoflake: a DFT study.
Sajid H; Khan S; Ayub K; Mahmood T
J Mol Model; 2021 Apr; 27(4):117. PubMed ID: 33796926
[TBL] [Abstract][Full Text] [Related]
14. Rare-earth-doped indium oxide nanosphere-based gas sensor for highly sensitive formaldehyde detection at a low temperature.
Ma X; Zhu H; Yu L; Li X; Ye E; Li Z; Loh XJ; Wang S
Nanoscale; 2023 Jan; 15(4):1609-1618. PubMed ID: 36602001
[TBL] [Abstract][Full Text] [Related]
15. Theoretical and experimental studies on mechanochromic triphenylamine based fluorescent "ON-OFF-ON" sensor for sequential detection of Fe
Alzahrani AYA; Khan KO; Rafique S; Irshad H; Khadija ; Khan AM; Shahzad SA
Spectrochim Acta A Mol Biomol Spectrosc; 2023 Sep; 297():122745. PubMed ID: 37084683
[TBL] [Abstract][Full Text] [Related]
16. Tuning the Nucleophilicity and Electrophilicity of Group 10 Elements through Substituent Effects: A DFT Study.
Burguera S; Bauzá A; Frontera A
Int J Mol Sci; 2023 Oct; 24(21):. PubMed ID: 37958580
[TBL] [Abstract][Full Text] [Related]
17. Transition metal (X = Mn, Fe, Co, Ni, Cu, Zn)-doped graphene as gas sensor for CO
Mollaamin F; Monajjemi M
J Mol Model; 2023 Mar; 29(4):119. PubMed ID: 36988725
[TBL] [Abstract][Full Text] [Related]
18. Simulation study of the effect of OGs on the adsorption of formaldehyde on modified activated carbon.
Hu F; Zhu R
J Mol Model; 2024 Jan; 30(2):44. PubMed ID: 38240929
[TBL] [Abstract][Full Text] [Related]
19. The adsorption of chlorofluoromethane on pristine, and Al- and Ga-doped boron nitride nanosheets: a DFT, NBO, and QTAIM study.
Doust Mohammadi M; Abdullah HY
J Mol Model; 2020 Sep; 26(10):287. PubMed ID: 32980919
[TBL] [Abstract][Full Text] [Related]
20. Density functional theory-based analyses on selective gas separation by β-PVDF-supported ionic liquid membranes.
Sarkar R; Kundu TK
J Mol Graph Model; 2021 Nov; 108():108004. PubMed ID: 34438240
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
