400 results on '"Brandán, Silvia A."'
Search Results
2. Molecular approach of Au–Stilbene–Au and Au–TCAB–Au molecular optical electronic devices designed for organic light-sensitive circuits
3. Vibrational assignments of monohydrate dimer of violuric acid by using FT-IR, FT-Raman and UV spectra and DFT calculations in different media
4. Pyridazine derivative as potent antihyperglycemic agent: Synthesis, crystal structure, α-amylase and α-glucosidase inhibition and computational studies
5. Synthesis, NMR, FT-IR, FT-Raman spectra and thermal studies of Choline bis(trifluoromethylsulfonyl)imide ionic liquid combined with DFT calculations
6. Impact of physicochemical properties on stabilities of aqueous solutions of potassium 1-fluorobenzoyltrifluoroborate salt
7. Identification of cholesterol in different media by using the FT-IR, FT-Raman and UV–visible spectra combined with DFT calculations
8. Vibrational assignments of cyclic dimers and inter-monomers of adenine relating FT-IR, FT-Raman and UV spectra with SQMFF and DFT calculations
9. 2-(allylthio)-5-(5-phenyl-1H-pyrazol-3-yl)-1,3,4-oxadiazole: Synthesis, single crystal XRD, spectroscopic characterization, antidiabetic activity, DFT and ADMET studies
10. Investigating the role of water molecules and its impact on the properties of hydrated vasodilator and anti-asthmatic theophylline agent
11. 4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol as potent antimicrobial agent: Synthesis, X-ray, antimicrobial activity and computational studies
12. Structural and vibrational characterization of di-hydrated hydrochloride tacrine combining DFT with SQMFF approach
13. Synthesis, NMR, IR, Raman spectra and DFT calculations of 1‐octyl‐1,4‐diazabicyclo [2.2.2] octan‐1‐ium bis(trifluoromethylsulfonyl)imide
14. Synthesis, crystal structure, Hirshfeld surface analysis, DFT and antihyperglycemic activity of 9-allyl-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one
15. Structural, harmonic force field and vibrational studies of cholinesterase inhibitor tacrine used for treatment of Alzheimer's disease
16. Electronic transport on the two state “ON–OFF” of 1,3,3-trimethylindolino-6′-nitrobenzopyrylospiran as a light-driven molecular optical switch: A first-principle study
17. A quinoline-benzotriazole derivative: Synthesis, crystal structure and characterization by using spectroscopic, DFT and molecular docking methods
18. Synthesis, spectroscopic and DFT studies of 5-methyl-1H-pyrazole-3-carbohydrazide N-glycoside as potential anti-diabetic and antioxidant agent
19. Electrical transport and NDR property on the cis–trans photo-isomerization of (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate as an optical molecular switch; A DFT-NEGF study
20. A combined study on structures and vibrational spectra of the antiviral rimantadine using SQMFF and DFT calculations
21. Synthesis, NMR, vibrational spectroscopy, thermal and DFT studies of new DABCO hexafluorophosphate based ionic liquid
22. Structure and absolute configuration of parodiolide, a new dimeric sesquiterpene lactone isolated from Mikania parodii Cabrera possessing an uncommon spiro connexion
23. Synthesis, crystal structure, spectroscopic, antidiabetic, antioxidant and computational investigations of Ethyl 5-hydroxy-1-isonicotinoyl-3-methyl-4,5-dihydro-1H-pyrazole-5-carboxylate
24. Improved electrochemical strategy to characterize adsorption and corrosion inhibition related to biomolecules from plant extracts: The case of Annona cherimola
25. Structural and vibrational investigation of Cis–Trans isomers of potent insecticide allethrin
26. Crystal structure, computational study, optical and vibrational properties of a new luminescent material based on bismuth(III): (C10H28N4)[Bi2Cl10]
27. Impact of non-covalent interactions on FT-IR spectrum and properties of 4-methylbenzylammonium nitrate. A DFT and molecular docking study
28. Synthesis, molecular structure, and properties of DABCO bromide based ionic liquid combining spectroscopic studies with DFT calculations
29. Synthesis, thermal properties, vibrational spectra and computational studies of Trioctylmethylammonium bis(trifluoromethylsulfonyl)imide ionic liquid
30. 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol as potential antiviral SARS-CoV-2 candidate: Synthesis, crystal structure, Hirshfeld surface analysis, DFT and molecular docking studies
31. Experimental and DFT studies on structure, spectroscopic and thermal properties of N-Methyl-N,N,N-trioctylammonium chloride ionic liquid
32. Structural study and vibrational assignments of FT-IR and FT-Raman spectra of powerful pesticide 2,4’-DDT. Its comparison with 4,4’-DDT
33. Synthesis, X-ray, spectroscopy, molecular docking and DFT calculations of (E)-N'-(2,4-dichlorobenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide
34. Synthesis, structural, molecular docking and spectroscopic studies of (E)-N'-(4-methoxybenzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide
35. Synthesis, crystal structure, spectroscopic studies, NBO, AIM and SQMFF calculations of new pyridazinone derivative
36. Deciphering non-covalent interactions of 1,3-Benzenedimethanaminium bis(trioxonitrate): Synthesis, empirical and computational study
37. Synthesis, X-Ray, Spectral Characterization, DFT, and Molecular Docking Calculations of 2-(5-Nitro-1-H-Indazol-1-yl) Acetic Acid.
38. Synthesis, NMR, Raman, thermal and nonlinear optical properties of dicationic ionic liquids from experimental and theoretical studies
39. Synthesis, X-ray structure, vibrational spectroscopy, DFT, biological evaluation and molecular docking studies of (E)-N’-(4-(dimethylamino)benzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide
40. Experimental isolation and spectroscopic characterization of squamocin acetogenin combining FT-IR, FT-Raman and UV–Vis spectra with DFT calculations
41. Searching potential antiviral candidates for the treatment of the 2019 novel coronavirus based on DFT calculations and molecular docking
42. Molecular docking studies, structural and spectroscopic properties of monomeric and dimeric species of benzofuran-carboxylic acids derivatives: DFT calculations and biological activities
43. Bidentate cation-anion coordination in the ionic liquid 1-ethyl-3-methylimidazolium hexafluorophosphate supported by vibrational spectra and NBO, AIM and SQMFF calculations
44. Experimental and DFT studies on the molecular structure, spectroscopic properties, and molecular docking of 4-phenylpiperazine-1-ium dihydrogen phosphate
45. Spectroscopic studies on the potassium 1-fluorobenzoyltrifluoroborate salt by using the FT-IR, Raman and UV–Visible spectra and DFT calculations
46. Structural, docking and spectroscopic studies of a new piperazine derivative, 1-Phenylpiperazine-1,4-diium bis(hydrogen sulfate)
47. Experimental and DFT studies on 2′,4′-dihydroxychalcone, a product isolated from Zuccagnia punctata Cav. (Fabaceae) medicinal plant
48. Characterization of potassium (2-phenylacetyl) trifluoroborate salt by using the UV–Visible, FT-IR and FT-Raman spectra
49. Structural and SQMFF study of potent insecticide 4′,4′-DDT combining the FT-IR and FT-Raman spectra with DFT calculations
50. Synthesis, X-Ray, Spectral Characterization, DFT, and Molecular Docking Calculations of 2-(5-Nitro-1- H -Indazol-1-yl) Acetic Acid
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.