996 results on '"Ramasami, Ponnadurai"'
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2. Anisotropies in electronic densities and electrostatic potentials of Halonium Ions: focus on Chlorine, Bromine and Iodine
3. Synthesis, Structure, Hirshfeld Surface Analysis, Non-Covalent Interaction, and In Silico Studies of 4-Hydroxy-1-[(4-Nitrophenyl)Sulfonyl]Pyrrolidine-2-Carboxyllic Acid
4. Bovine serum albumin uptake and polypeptide disaggregation studies of hypoglycemic ruthenium(II) uracil Schiff-base complexes
5. Virtual screening, MMGBSA, and molecular dynamics approaches for identification of natural products from South African biodiversity as potential Onchocerca volvulus pi-class glutathione S-transferase inhibitors
6. Radial Behavior of Electrostatic Potentials of Atoms and Ions Revisited: Isotropy and Anisotropy
7. Functionalization of Two-Dimensional Coordination Polymer in Small Organic Matter Removal from Organic Wastewater
8. Sustainable Chemistry Research: Analytical Aspects
9. Basic Sciences for Sustainable Development: Energy, Artificial intelligence, Chemistry, and Materials Science
10. Experimental and theoretical calculation of pKa values of substituted-2,4,6-trinitrodiphenylamines
11. Determination of Partition Coefficient of Pesticides: A Short Review and Application of DFT Method
12. 1 Synthesis, characterization, DFT and molecular docking studies of acetone O-((2,5-dichlorophenyl)sulfonyl) oxime
13. 4 A conversation on the quartic equation of the secular determinant of methylenecyclopropene
14. 6 Simultaneous remediation of polycyclic aromatic hydrocarbon and heavy metals in wastewater with zerovalent iron-titanium oxide nanoparticles (ZVI-TiO2)
15. Organic and Natural Product Synthesis
16. Interaction between favipiravir and hydroxychloroquine and their combined drug assessment: in silico investigations
17. Synthesis, molecular structure, electronic, spectroscopic, NLO and antimicrobial study of N-benzyl-2-(5-aryl-1,3,4-oxadiazol-2-yl)aniline derivatives
18. Simulation guided prediction of zeolites for the sorption of selected anions from water: Machine learning predictors for enhanced loading
19. Structural and theoretical studies of iron(III) and copper(II) complexes of dianion N1,N4-bis(salicylidene)-S-alkyl-thiosemicarbazide
20. Thiazole derivatives: Synthesis, characterization, biological and DFT studies
21. Structural, vibrational and electronic properties of some tetrel-bonded complexes of the fluorinated methanes methyl fluoride, difluoromethane and fluoroform: an ab initio study
22. Physicochemical analysis of wastewater generated from a coating industry in Mauritius
23. Electrocatalytic performance of a nickel(II) phthalocyanine-carbon nanotube composite towards the detection of Hg2+ ions.
24. Theoretical study of the interactions between peptide tyrosine tyrosine [PYY (1-36)], a newly identified modulator in type 2 diabetes pathophysiology, with receptors NPY1R and NPY4R
25. Stabilization of the ruthenium (II) and -(III) centres by chelating N-donor ligands: Synthesis, characterization, biomolecular affinities and computational studies
26. Empirical assessment of COVID-19 infections and information diffusion: a data science approach
27. A comparative DFT study of tetracyanoquinodimethane and its difluoro and tetrafluoro analogs
28. Determination of Partition Coefficient of Pesticides: A Short Review and Application of DFT Method
29. 1 Structural and spectroscopic properties of 3-halogenobenzaldehydes: DFT and TDDFT simulations
30. Evaluation of some amino benzoic acid and 4-aminoantipyrine derived Schiff bases as corrosion inhibitors for mild steel in acidic medium: Synthesis, experimental and computational studies
31. Unveiling the high reactivity of benzyne in the formal [3+2] cycloaddition reactions towards thioamides through the Molecular Electron Density Theory
32. Isolation, crystal structure and DFT study of 2,2,6,6-tetramethyl-4-oxo-piperidinium nitrate isolated from the stembark of Vitex doniana (Lamiaceae).
33. Computational Chemistry: Applications and New Technologies
34. Theoretical and Computational Chemistry Aspects
35. Green and Sustainable Processing
36. Pharmaceutical Applications
37. Novel triazine-functionalized tetra-imidazolium hexafluorophosphate salt: Synthesis, crystal structure and DFT study
38. DFT/QTAIM analysis of favipiravir adsorption on pristine and silicon doped C20 fullerenes
39. Theoretical insight of alpha amino acid phenylalanine adsorption on pristine and decorated fullerenes
40. Synthesis, characterization, biological and DFT studies of new 4-substituted phthalonitriles
41. Crystal structure and antibacterial activity of scandenone (warangalone) from Erythrina plants
42. Computational Chemistry Methods: Applications
43. Structural, computational and in silico studies of Schiff bases derived from 2,3-dihydroxybenzaldehyde and molecular structure of their zwitterionic forms
44. Synthesis, characterization, DFT and antimicrobial studies of transition metal ion complexes of a new schiff base ligand, 5-methylpyrazole-3yl-N-(2́-hydroxyphenylamine)methyleneimine, (MPzOAP)
45. Synthesis, spectroscopic, biological and DFT studies of new t-butyl substituted salicylaldimines having disulfide moiety
46. 8 2,4-Dimorpholino-4-yl-6-(4-nitrophenoxy)- [1,3,5]-triazine: Structural and spectroscopic study using experimental and DFT method
47. 9 Spectroscopic and DFT studies of 2,4-dichloro-N-phenethylbenzenesulfonamide
48. Effect of methoxy group on NLOphoric properties of fluorescent 7-arylstyryl-2-methoxyphenylimidazo[1,2-a]pyridine - Solvatochromic and computational method
49. Interaction between escitalopram and ibuprofen or paracetamol: DFT and molecular docking on the drug–drug interactions.
50. Simultaneous remediation of polycyclic aromatic hydrocarbon and heavy metals in wastewater with zerovalent iron-titanium oxide nanoparticles (ZVI-TiO2).
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