691 results on '"Tandon, Poonam"'
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2. Cocrystal screening of benznidazole based on electronic transition, molecular reactivity, hydrogen bonding, and stability
3. Study of chemical reactivity and molecular interactions of the hydrochlorothiazide-4-aminobenzoic acid cocrystal using spectroscopic and quantum chemical approaches
4. Unveiling spectroscopic behaviour and molecular features (DFT studies) of Exemestane-maleic acid cocrystal as model multicomponent system
5. Theoretical study on molecular stability, reactivity, and drug potential of cirsilineol from DFT and molecular docking methods
6. Combined spectroscopic and quantum chemical study to explore the effect of hydrogen bonding in hydrochlorothiazide-nicotinamide cocrystal
7. Unraveled mesophase dynamics of discotic liquid crystal using combination of vibrational spectroscopy and DFT
8. Fabrication of an efficient LPG sensing material based on PANI/MgO–Ru nanocomposite functional at room temperature
9. The experimental and theoretical spectroscopic elucidation of molecular structure, electronic properties, thermal analysis, biological evaluation, and molecular docking studies of isococculidine
10. Computational evaluation on molecular stability and binding affinity of methyldopa against Lysine-specific demethylase 4D Enzyme through quantum chemical computations and molecular docking analysis
11. Monitoring structural fluctuations of discotic liquid crystal during phase transitions
12. Spectroscopic and quantum chemical investigations to explore the effect of intermolecular interactions in a diuretic drug: Hydrochlorothiazide
13. Co-doped ZnO nanostructures for liquefied petroleum gas sensing at room temperature
14. Ab-initio simulation of the interaction of gold nanoclusters with glycine
15. Spectroscopic and quantum chemical study on a non-linear optical material 4-[(1E)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-en-1-yl] phenyl4-methylbenzene-1-sulfonate
16. ab-Initio and DFT study of HCN: Role of temperature for the formation of HCN molecule in the interstellar medium
17. Structural insights, spectral and H-bond analyses, of nitrofurantoin-phenazine cocrystal and comparison of its chemical reactivity with other nitrofurantoin cocrystals
18. Vibrational and conformational analysis of structural phase transition in Estradiol 17β valerate with temperature
19. Structural properties of a novel heterocyclic chalcones derivative, (E)-3-(5-methyl furan-2-yl)-1-phenyl prop‑2-en-1-one: A spectroscopic and DFT perception
20. Molecular interactions and vibrational properties of ricobendazole: Insights from quantum chemical calculation and spectroscopic methods
21. Molecular structure and quantum descriptors of cefradine by using vibrational spectroscopy (IR and Raman), NBO, AIM, chemical reactivity and molecular docking
22. Spectroscopic characterization and structural insights of 4-[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl] phenyl 4-methylbenzene-1-sulfonate using vibrational, electronic spectra and quantum chemical calculations
23. Molecular Structure, Hydrogen Bonding Interactions and Docking Simulations of Nicotinamide (Monomeric and Trimeric Models) by Using Spectroscopy and Theoretical Approach
24. Development of polyaniline/ZnO-Ru nanocomposite as a potential LPG sensing material operable at room temperature
25. Formation of Acetaldehyde in the Interstellar Medium from the Reaction of Methanol and Atomic Carbon in Interstellar Water Ice
26. Vibrational spectroscopic, NBO, AIM, and multiwfn study of tectorigenin: A DFT approach
27. Non-covalent interactions and spectroscopic study of chalcone derivative 1-(4-chlorophenyl)-3-(5-methylfuran-2-yl) prop-2-en-1-one
28. Density Functional Theory Study of Cu6 Nanoclusters as a Phenylalanine Detector
29. Preparation of Nanostructured Co3O4 and Ru-Doped Co3O4 and Their Applicability in Liquefied Petroleum Gas Sensing
30. Study of molecular structure and hydrogen bond interactions in dipfluzine-benzoic acid (DIP-BEN) cocrystal using spectroscopic and quantum chemical method
31. A theoretical study on molecular structure, chemical reactivity and molecular docking studies on dalbergin and methyldalbergin
32. Combined spectroscopic and quantum chemical approach to study the effect of hydrogen bonding interactions in ezetimibe
33. Structural reactivity analyses of a neoflavonoid 4-methoxydalbergione using vibrational spectroscopy and quantum chemical calculations
34. Fabrication of nanostructured MgO and Zn-doped MgO as an efficient LPG sensing materials operable at room temperature
35. Spectroscopic and molecular structure (monomeric and dimeric model) investigation of Febuxostat: A combined experimental and theoretical study
36. Structural and vibrational characteristics of a non-linear optical material 3-(4-nitrophenyl)-1-(pyridine-3-yl) prop-2-en-1-one probed by quantum chemical computation and spectroscopic techniques
37. Evaluation of non-covalent interactions of chlorambucil (monomer and dimer) and its interaction with biological targets: Vibrational frequency shift, electron density topological and automated docking analysis
38. Spectroscopic and theoretical studies of dalbergin and Methyldalbergin
39. A combined experimental (IR, Raman and UV–Vis) and quantum chemical study of canadine
40. Structural and spectroscopic analysis of indole alkaloids: Molecular docking and DFT approach
41. Phase transition analysis of V-shaped liquid crystal: Combined temperature-dependent FTIR and density functional theory approach
42. Theoretical Study of Possible Reaction Mechanisms for the Formation of Carbodiimide in the Interstellar Medium (ISM) and Polarizabilities of Carbodiimide
43. Fabrication and characterization of polyaniline, polyaniline/MgO(30%) and polyaniline/MgO(40%) nanocomposites for their employment in LPG sensing at room temperature
44. Molecular structure, nonlinear optical studies and spectroscopic analysis of chalcone derivative (2E)-3-[4-(methylsulfanyl) phenyl]-1-(3-bromophenyl) prop-2-en-1-one by DFT calculations
45. Insights into structural, spectroscopic, and hydrogen bonding interaction patterns of nicotinamide–oxalic acid (form I) salt by using experimental and theoretical approaches
46. Spectroscopic (far or terahertz, mid-infrared and Raman) investigation, thermal analysis and biological activity of piplartine
47. Structural characterization, spectroscopic signatures, nonlinear optical response, and antioxidant property of 4-benzyloxybenzaldehyde and its binding activity with microtubule-associated tau protein
48. Fabrication of copper ferrite porous hierarchical nanostructures for an efficient liquefied petroleum gas sensor
49. Study of Cr → SmA phase transition and hydrogen bonding in four-ring bent-core liquid crystal
50. Temperature-dependent infrared study of phase transitions in bent-core liquid crystalline compound 12O(OH)2MeO10
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