Recent updates on source, biosynthesis, and therapeutic potential of natural flavonoid luteolin: A review
N Muruganathan, AR Dhanapal, V Baskar… - Metabolites, 2022 - mdpi.com
Nature gives immense resources that are beneficial to humankind. The natural compounds
present in plants provide primary nutritional values to our diet. Apart from food, plants also …
present in plants provide primary nutritional values to our diet. Apart from food, plants also …
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 …
Influence of Adsorption of Gold and Silver Nanoclusters on Structural, Electronic, and Nonlinear optical properties of Pentacene-5, 12-dione: A DFT study
The present study deals with the investigation of the change in the hyperpolarizability of
Pentacene-2, 5-dione (PD) on the introduction of the gold (Au) and silver (Ag) nanoclusters …
Pentacene-2, 5-dione (PD) on the introduction of the gold (Au) and silver (Ag) nanoclusters …
Study of nonlinear optical responses of phytochemicals of Clitoria ternatea by quantum mechanical approach and investigation of their anti-Alzheimer activity with in …
Clitoria ternatea is a flowering plant with promising medicinal plants with a wide variety of
active phytochemicals. The present study aimed at the computational investigation of the …
active phytochemicals. The present study aimed at the computational investigation of the …
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 …
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 …
Investigation of nonlinear optical responses of organic derivative of imidazole: imidazole-2-carboxaldehyde
In the present work, we explored the nonlinear optical properties of imidazole-2-
carboxaldehyde, which is an aromatic derivative of imidazole. Optimization has been …
carboxaldehyde, which is an aromatic derivative of imidazole. Optimization has been …
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 …