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Growth, Hirshfeld surfaces, spectral, quantum chemical calculations, photoconductivity and chemical etching analyses of nonlinear optical p-toluidine p …
A single crystal of p-toluidine p-toluenesulfonate (PTPT) has been grown by slow
evaporation solution technique (SEST) at room temperature. Single crystal X-ray analysis …
evaporation solution technique (SEST) at room temperature. Single crystal X-ray analysis …
Bulk crystal growth, spectroscopic, hirshfeld surface analysis, physicochemical and quantum chemical investigations on 2-ethylimidazolium d-tartrate single crystal
Abstract The '2-ethylimidazolium d-tartrate (2EIMDT)'C 9 H 14 N 2 O 6 is synthesized and
confirmed by experimental NMR, FTIR methods and powder XRD analysis. The HRXRD …
confirmed by experimental NMR, FTIR methods and powder XRD analysis. The HRXRD …
Exploring the molecular structure, vibrational spectroscopic, quantum chemical calculation and molecular docking studies of curcumin: A potential PI3K/AKT uptake …
The IUPAC name of curcumin is (1E, 6E)-1, 7-Bis (4-hydroxy-3methoxyphenyl) hepta-1, 6-e-
3, 5-dione (7B3M5D) and is characterized by spectroscopic profiling with FT-IR and FT …
3, 5-dione (7B3M5D) and is characterized by spectroscopic profiling with FT-IR and FT …
Syntheses of novel 1, 5‐benzodiazepine derivatives: Crystal structures, spectroscopic characterizations, Hirshfeld surface analyses, molecular docking studies, DFT …
A series of newly pyrazolo‐1, 5‐benzodiazepine derivatives (5‐7) was performed and
characterized by using 1H, 13C‐NMR spectroscopic measurements. The molecular and …
characterized by using 1H, 13C‐NMR spectroscopic measurements. The molecular and …
Crystal growth, structural, DFT, optical and Z-scan analyses of 4-hydroxybenzoic acid-1H-imidazole crystal
E Chinnakannu, M Sankar, S Chandran… - Journal of Materials …, 2023 - Springer
Abstract The organic 4-Hydroxybenzoic acid-1H-imidazole (4HBI) single crystal was grown
by slow evaporation method. The 4HBI crystal belongs to the monoclinic crystal system. The …
by slow evaporation method. The 4HBI crystal belongs to the monoclinic crystal system. The …
Structural, vibrational, Hirshfeld surfaces and optical studies of nonlinear optical organic imidazolium L-tartrate single crystal
Imidazolium L-tartrate (IMLT) single crystal was grown using solution growth technique. The
grown crystal belongs to monoclinic crystal structure with space group P2 1. Intermolecular …
grown crystal belongs to monoclinic crystal structure with space group P2 1. Intermolecular …
Third-order NLO studies of 2, 4-Bis (4-fluorophenyl)-2, 3-dihydro-1H-1, 5-benzodiazepine using Z-scan technique and DFT method
The present work discusses the nonlinear optical properties of 2, 4-Bis (4-fluorophenyl)-2, 3-
dihydro-1H-1, 5-benzodiazepine. The structural characterizations have been performed …
dihydro-1H-1, 5-benzodiazepine. The structural characterizations have been performed …
Spectroscopic investigations, quantum chemical calculations and molecular docking studies of Mangiferin-an anti-viral agent of H1N1 Influenza virus
S Bangaru, P Manivannan, S Muthu - Chemical Data Collections, 2020 - Elsevier
Mangiferin (MFN) is an anti-viral agent of H1N1 influenza virus which was reported to inhibit
H1N1 neuraminidase (NA) enzyme with IC 50 value of 0.82 μM. The MFN molecule was …
H1N1 neuraminidase (NA) enzyme with IC 50 value of 0.82 μM. The MFN molecule was …
Spectroscopic (FT-IR, FT-Raman) investigations, quantum chemical calculations, ADMET and molecular docking studies of phloretin with B-RAF inhibitor
The Phloretin molecule is chemically known as 3-(4-hydroxyphenyl)-1-(2, 4, 6-
trihydroxyphenyl) propan-1-one (4H6TP), which was optimized by utilizing B3LYP functional …
trihydroxyphenyl) propan-1-one (4H6TP), which was optimized by utilizing B3LYP functional …
Enhanced NLO response and switching self-focussing in benzodiazepine derivative with–NO2 and-Br substitution
Optoelectronic and the cubic nonlinear optical properties of 4-(4-Bromophenyl)-2-(4-
nitrophenyl)-2, 3-dihydro-1H-1, 5-benzodiazepine have been studied. Z-scan technique was …
nitrophenyl)-2, 3-dihydro-1H-1, 5-benzodiazepine have been studied. Z-scan technique was …