These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
115 related articles for article (PubMed ID: 32272424)
1. Detailed quantum mechanical studies on bioactive benzodiazepine derivatives and their adsorption over graphene sheets. Al-Otaibi JS Spectrochim Acta A Mol Biomol Spectrosc; 2020 Jul; 235():118333. PubMed ID: 32272424 [TBL] [Abstract][Full Text] [Related]
2. Structural study of letrozole and metronidazole and formation of self-assembly with graphene and fullerene with the enhancement of physical, chemical and biological activities. Almuqrin AH; Al-Otaibi JS; Mary YS; Mary YS; Thomas R J Biomol Struct Dyn; 2021 Sep; 39(15):5509-5515. PubMed ID: 32657232 [TBL] [Abstract][Full Text] [Related]
3. Topological analysis (BCP) of vibrational spectroscopic studies, docking, RDG, DSSC, Fukui functions and chemical reactivity of 2-methylphenylacetic acid. Kavimani M; Balachandran V; Narayana B; Vanasundari K; Revathi B Spectrochim Acta A Mol Biomol Spectrosc; 2018 Feb; 190():47-60. PubMed ID: 28898821 [TBL] [Abstract][Full Text] [Related]
4. Spectral analysis and detailed quantum mechanical investigation of some acetanilide analogues and their self-assemblies with graphene and fullerene. Almuqrin AH; Al-Otaibi JS; Mary YS; Thomas R; Kaya S; Işın DÖ J Mol Model; 2020 Sep; 26(9):254. PubMed ID: 32876867 [TBL] [Abstract][Full Text] [Related]
5. Detailed quantum mechanical, molecular docking, QSAR prediction, photovoltaic light harvesting efficiency analysis of benzil and its halogenated analogues. Mary YS; Mary YS; Resmi KS; Kumar VS; Thomas R; Sureshkumar B Heliyon; 2019 Nov; 5(11):e02825. PubMed ID: 31763480 [TBL] [Abstract][Full Text] [Related]
6. DFT computational study towards investigating psychotropic drugs, promazine and trifluoperazine adsorption on graphene, fullerene and carbon cyclic ring nanoclusters. Almuqrin AH; Al-Otaibi JS; Mary YS; Mary YS Spectrochim Acta A Mol Biomol Spectrosc; 2021 Feb; 246():119012. PubMed ID: 33039847 [TBL] [Abstract][Full Text] [Related]
7. Quantum chemical investigations on the effect of dodecyloxy chromophore in 4-amino stilbene sensitizer for DSSCs. Senthilkumar P; Nithya C; Anbarasan PM Spectrochim Acta A Mol Biomol Spectrosc; 2014 Mar; 122():15-21. PubMed ID: 24291449 [TBL] [Abstract][Full Text] [Related]
8. DFT and TD-DFT study on geometries, electronic structures and electronic absorption of some metal free dye sensitizers for dye sensitized solar cells. Mohr T; Aroulmoji V; Ravindran RS; Müller M; Ranjitha S; Rajarajan G; Anbarasan PM Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 135():1066-73. PubMed ID: 25173523 [TBL] [Abstract][Full Text] [Related]
9. Conformational stability, spectroscopic (FT-IR, FT-Raman and UV-Vis) analysis, NLO, NBO, FMO and Fukui function analysis of 4-hexylacetophenone by density functional theory. Saravanan S; Balachandran V Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():406-23. PubMed ID: 25528503 [TBL] [Abstract][Full Text] [Related]
10. Silver-loaded graphene as an effective SERS substrate for clotrimazole detection: DFT and spectroscopic studies. Onawole AT; Popoola SA; Saleh TA; Al-Saadi AA Spectrochim Acta A Mol Biomol Spectrosc; 2018 Aug; 201():354-361. PubMed ID: 29763829 [TBL] [Abstract][Full Text] [Related]
11. A computational study of the interaction of graphene structures with biomolecular units. Carballeira DL; Ramos-Berdullas N; Pérez-Juste I; Fajín JL; Cordeiro MN; Mandado M Phys Chem Chem Phys; 2016 Jun; 18(22):15312-21. PubMed ID: 27210053 [TBL] [Abstract][Full Text] [Related]
12. Spectroscopic and molecular structure (monomeric and dimeric model) investigation of Febuxostat: A combined experimental and theoretical study. Pandey J; Prajapati P; Srivastava A; Tandon P; Sinha K; Ayala AP; Bansal AK Spectrochim Acta A Mol Biomol Spectrosc; 2018 Oct; 203():1-12. PubMed ID: 29852375 [TBL] [Abstract][Full Text] [Related]
13. Density functional theory study of adsorption geometries and electronic structures of azo-dye-based molecules on anatase TiO Prajongtat P; Suramitr S; Nokbin S; Nakajima K; Mitsuke K; Hannongbua S J Mol Graph Model; 2017 Sep; 76():551-561. PubMed ID: 28688705 [TBL] [Abstract][Full Text] [Related]
14. Cocrystals of hydrochlorothiazide with picolinamide, tetramethylpyrazine and piperazine: quantum mechanical studies, docking and modelling of the photovoltaic efficiency for DSSC. Al-Otaibi JS; Almuqrin AH; Mary YS; Mary YS; Thomas R J Mol Model; 2020 Sep; 26(9):256. PubMed ID: 32885337 [TBL] [Abstract][Full Text] [Related]
15. Screening of the structural, topological, and electronic properties of the functionalized Graphene nanosheets as potential Tegafur anticancer drug carriers using DFT method. Shahabi M; Raissi H J Biomol Struct Dyn; 2018 Aug; 36(10):2517-2529. PubMed ID: 28758844 [TBL] [Abstract][Full Text] [Related]
16. Conformational analysis and quantum descriptors of two new imidazole derivatives by experimental, DFT, AIM, molecular docking studies and adsorption activity on graphene. Kumar VS; Mary YS; Pradhan K; Brahman D; Mary YS; Serdaroğlu G; Rad AS; Roxy MS Heliyon; 2020 Oct; 6(10):e05182. PubMed ID: 33072922 [TBL] [Abstract][Full Text] [Related]
17. Molecular structure, vibrational spectra, natural bond orbital and thermodynamic analysis of 3,6-dichloro-4-methylpyridazine and 3,6-dichloropyridazine-4-carboxylic acid by dft approach. Prabavathi N; Senthil Nayaki N; Venkatram Reddy B Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():1134-48. PubMed ID: 25459510 [TBL] [Abstract][Full Text] [Related]
18. Externally predictive quantum-mechanical models for the adsorption of aromatic organic compounds by graphene-oxide nanomaterials. Lata S; Vikas SAR QSAR Environ Res; 2019 Dec; 30(12):847-863. PubMed ID: 31577156 [TBL] [Abstract][Full Text] [Related]
19. Quantum mechanical and spectroscopic (FT-IR, FT-Raman) study, NBO analysis, HOMO-LUMO, first order hyperpolarizability and molecular docking study of methyl[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]amine by density functional method. Kuruvilla TK; Prasana JC; Muthu S; George J; Mathew SA Spectrochim Acta A Mol Biomol Spectrosc; 2018 Jan; 188():382-393. PubMed ID: 28756257 [TBL] [Abstract][Full Text] [Related]
20. [Identification of estazolam, alprazolam and triazolam in human urine by LC/MSn]. Gu JK; Xia R; Zhong DF; Sun L Yao Xue Xue Bao; 2002 Feb; 37(2):138-40. PubMed ID: 12579961 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]