Computational study of non-linear optical and electrical properties of 1, 3-dinitropyrene
This study aims to explore the optoelectronic properties of a pyrene derivative 1, 3-
dinitropyrene using density functional theory to determine molecular electrostatic potential …
dinitropyrene using density functional theory to determine molecular electrostatic potential …
Anticancer potential of biologically synthesized silver nanoparticles using Lantana camara leaf extract
A Lantana camara leaf (LC) extract was used as a mild reducing agent to produce silver
metal nanoparticles (LC-AgNPs) efficiently. The size, shape, and morphology of synthesized …
metal nanoparticles (LC-AgNPs) efficiently. The size, shape, and morphology of synthesized …
Photovoltaic characteristics of organic heterocyclic 2, 9-dimethyl quinacridone in different solvents using DFT approach
In this work, efforts had been made to develop the photovoltaic utility of 2, 9-dimethyl
quinacridone (2, 9-DMQA) using density functional theory (DFT). Initially, the structural …
quinacridone (2, 9-DMQA) using density functional theory (DFT). Initially, the structural …
Theoretical study on spectral and optical properties of essential amino acids: a comparative study
In the present work, a theoretical study has been performed targeting essential amino acids
(EAA) Histidine, Isoleucine, Leucine, Lysine, Methionine, Phenylalanine, Threonine …
(EAA) Histidine, Isoleucine, Leucine, Lysine, Methionine, Phenylalanine, Threonine …
Two-photon absorption and optical limiting in 7-diethylamino-4-methyl coumarin
The combined experimental and computational spectroscopic calculations were performed
to analyze the nonlinear optical property of 7-diethylamino-4-methylcoumarin. The band gap …
to analyze the nonlinear optical property of 7-diethylamino-4-methylcoumarin. The band gap …
Phyto-nano-MgO quantum dots by ultrasonic formulation for evaluation of toxin In-Vivo/Vitro/Silico sequels
S Sreevidya, S Yadav, S Sanwaria, Y Katre… - Chemical Engineering …, 2024 - Elsevier
Research on agrarian and communal pests through the use of biogenic 'phyto-
MgO'nanoflakes and nanoflorets via ultrasonic waves as nano-biopesticides is marked as a …
MgO'nanoflakes and nanoflorets via ultrasonic waves as nano-biopesticides is marked as a …
Investigation of the electronic and optical activity of halogen-substituted 2-nitrotoulene by density functional theory
The enhancement of Nonlinear optical (NLO) activity of the 2-nitrotoulene (2NT) after the
substitution of the halogens (F, Cl, Br, and I) at the para position of the benzene ring was …
substitution of the halogens (F, Cl, Br, and I) at the para position of the benzene ring was …
Exploring the nonlinear optical limiting activity of para-aminobenzoic acid by experimental and Dft approach
The present study accounts for the nonlinear optical behavior of para-aminobenzoic acid.
The intramolecular charge transfer was established using electrostatic potential and …
The intramolecular charge transfer was established using electrostatic potential and …
Reactivities of 4-amino salicylic acid and its 'Green'inhibition into nano sized β-cyclodextrin for Anti-Tuberculosis drug delivery
In the present work, 4-amino salicylic acid (PAS) which is an oral antibiotic against
tuberculosis is being investigated for its potential “Green” effectivity in trapped conditions …
tuberculosis is being investigated for its potential “Green” effectivity in trapped conditions …
Enhanced nonlinear optical and optical limiting responses of 7-diethylamino-4-methyl coumarin functionalized with silver nanoparticles: A combined experimental and …
The present study accounts for the enhanced nonlinear optical and optical limiting activity of
7-diethylamino-4-methyl coumarin (7DMC) after the addition of silver nanoparticles. The …
7-diethylamino-4-methyl coumarin (7DMC) after the addition of silver nanoparticles. The …