48 results on '"Yathirajan, H.S."'
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2. An investigation on spectroscopic, wavefunction dependent reactivity, docking and anti-Covid-19 ability of flupentixol dihydrochloride: DFT and MD simulations at different temperatures
3. Insights into the reactivity properties, docking, DFT and MD simulations of orphenadrinium dihydrogen citrate in different solvents
4. Insights into solvation effects, spectroscopic, Hirshfeld surface Analysis, reactivity analysis and anti-Covid-19 ability of doxylamine succinate: Experimental, DFT, MD and docking simulations
5. Spectroscopic characterization of 4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzaldehyde oxime and investigation of its reactive properties by DFT calculations and molecular dynamics simulations
6. Facile one-step fabrication of magnetite particles under mild hydrothermal conditions
7. Synthesis, crystal structure, ABTS radical-scavenging activity, antimicrobial and docking studies of some novel quinoline derivatives
8. Vibrational spectroscopic (FT-IR, FT-Raman) and quantum chemical calculations of 1-(5,5-dioxido-10H-phenothiazin-10-yl)ethanone
9. Vibrational spectroscopic studies (FT-IR, FT-Raman, SERS) and quantum chemical calculations on cyclobenzaprinium salicylate
10. Vibrational spectroscopic (FT-IR, FT-Raman, SERS) and quantum chemical calculations of 3-(10,10-dimethyl-anthracen-9-ylidene)-N,N,N-trimethylpropanaminiium chloride (Melitracenium chloride)
11. Vibrational spectroscopic, molecular structure, first hyperpolarizability and NBO studies of 4′-methylbiphenyl-2-carbonitrile
12. Imatinib (Gleevec@) conformations observed in single crystals, protein–Imatinib co-crystals and molecular dynamics: Implications for drug selectivity
13. Synthesis, crystal structures and theoretical studies of four Schiff bases derived from 4-hydrazinyl-8-(trifluoromethyl) quinoline
14. Crystal structure of bis(2-butyl-4-chloro-imidazole)5-iminoethane
15. Novel coupling reagents for the sensitive spectrophotometric determination of nimesulide in pharmaceutical preparations
16. Spectrophotometric determination of metronidazole and tinidazole in pharmaceutical preparations
17. Crystal structure of 3-benzoyl-2-[(5-bromo-2-hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene
18. The crystal structures of three clozapinium salts : different molecular configurations, and supramolecular assembly in one, two and three dimensions
19. Vibrational spectra, HOMO, LUMO, NBO, MEP analysis and molecular docking study of 2,2-diphenyl-4-(piperidin-1-yl)butanamide
20. Spectroscopic investigation (FT-IR, FT-Raman and SERS), vibrational assignments, HOMO–LUMO analysis and molecular docking study of Opipramol
21. Vibrational spectroscopic studies and molecular docking of 10,10-Dimethylanthrone
22. Theoretical investigations on the molecular structure, vibrational spectral, HOMO–LUMO and NBO analysis of 9-[3-(Dimethylamino)propyl]-2-trifluoro-methyl-9H-thioxanthen-9-ol
23. Crystal structure of 3-[4-(pyrimidin-2-yl)piperazin-1-ium-1-yl]butanoate
24. 4-(Furan-2-carbonyl)piperazin-1-ium 3,5-dinitrobenzoate
25. Pyrimethaminium 2-{[4-(trifluoromethyl)phenyl]sulfanyl}benzoate dimethyl sulfoxide monosolvate
26. (4-Methylpiperazin-1-yl)(2,3,4-trimethoxybenzylidene)amine
27. {2-[(2-Hydroxybenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone
28. 3-(1H-Imidazol-1-yl)propanaminium 2-carboxy-4,6-dinitrophenolate
29. Flupentixol tartrate
30. Métodos sensitivos para la determinación espectrofotométrica de los compuestos antineoplásicos
31. Ethyl 6-(4-chlorophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate
32. 4-Hydroxy-5-(2-methoxyphenoxy)-2,2′-bipyrimidin-6(5H)-one dihydrate
33. 2-[4-(Trifluoromethyl)phenylsulfanyl]benzoic acid
34. 4-Methyl-N-(4-nitrobenzylidene)piperazin-1-amine
35. 5-[3-(Dimethylamino)propyl]-10,11-dihydro-5H-dibenz[a,d][7]annulen-5-ol
36. 3-(6-Methoxy-2-naphthyl)-1-(2-naphthyl)prop-2-en-1-one
37. 3-Aminophenol as a novel coupling agent for the spectrophotometric determination of sulfonamide derivatives
38. Sensitive spectrophotometric method for the determination of indomethacin in capsules
39. Spectrophotometric methods for the rapid determination of menadione and menadione sodium bisulphite and their application in pharmaceutical preparations
40. CRYSTAL STRUCTURES OF TWO TRIAZOLE DERIVATIVES.
41. CRYSTAL STRUCTURES OF TWO IMIDAZOLE DERIVATIVES.
42. Trityl losartan.
43. Crystal and Molecular Structure Studies of Some Organic Haloamines
44. Spectrophotometric determination of microgram amounts of penicillins by solvent extraction with azure b
45. Interaction of phenothiazines with nitroso-R salt and extractive spectrophotometric determination of phenothiazine drugs
46. Dichloramine-B as redox titrant in non-aqueous or partially aqueous media
47. Iodamine-B as an oxidimetric titrant in aqueous medium
48. Some analytical applications of chlorbromamine-B
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