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Now showing items 11-20 of 51
Corrosion inhibition of steel using different families of organic compounds: Past and present progress
(2022)
Application of organic compounds as corrosion inhibitors, particularly heterocyclic compounds, is one of
the most economical and effective corrosion mitigation methods of steel alloys. These compounds
become effective ...
Strychnos alkaloids: total synthesis, characterization, DFT investigations, and molecular docking with AChE, BuChE, and HSA
(Elsevier, 2022)
An efficient five steps, the protection-deprotection synthetic a novel synthetic routes to( ) noruleine ( )-uleine,
are reported starting from tetrahydrocarbazole fused monoalkyl nitrile at C-2 position that is prepared ...
Synthesis, characterization, biological and DFT studies of chargetransfer complexes of antihyperlipidemic drug atorvastatin calcium with Iodine, Chloranil, and DDQ
(Elsevier, 2022)
Extremely coloured charge-transfer complexes (CTCs) of antihyperlipidemic drug, atorvastatin calcium
(ATC) acting as n-electron donor with the electron acceptors, namely, iodine as r-acceptor, 2,3,4,6-tetra
chloro-1,4- ...
DFT computational study of trihalogenated aniline derivative’s adsorption onto graphene/fullerene/fullerene-like nanocages, X12Y12 (X = Al, B, and Y = N, P)
(Elsevier, 2022)
Adsorption of 2,4,6-tribromoaniline (BA), 2,4,6-trifluoroaniline (FA) and 2,4,6-trichloroaniline (CA) onto
the surface of coronene/fullerene/fullerene-like nanocages was investigated by theoretical calculations.
Due to ...
Fluorinated carbon and boron nitride fullerenes for drug Delivery: Computational study of structure and adsorption
(Elsevier, 1 May 2022)
We applied a genetic algorithm combined with the B3LYP/6-311G** approach to determine the structures
of low-energy isomers of partially fluorinated fullerenes, the number of which is combinatorically huge.
We found that ...
On the analysis of stability, bifurcation, and chaos control of discrete-time predator-prey model with Allee effect on predator
(1.04.2022)
In this paper, a discrete predator-prey model with Allee effect which is obtained by the
forward Euler method has been investigated. The local stability conditions of the model
at the fixed point have been discussed. In ...
Effect of immigration in a predator-prey system: Stability, bifurcation and chaos
(AIMS Press, 02/06/2022)
In the present manuscript, a discrete-time predator-prey system with prey immigration is
considered. The existence of the possible fixed points of the system and topological classification of
coexistence fixed point are ...
DYNAMICAL COMPLEXITIES IN A DISCRETE-TIME PREDATOR-PREY SYSTEM AS CONSEQUENCES OF THE WEAK ALLEE EFFECT ON PREY
(2023)
In this paper, a two dimensional discrete-time predator-prey system with weak Allee
effect, affecting the prey population, is considered. The existence of the positive fixed points of
the system and topological classification ...
Cyanomethylation of 2,3,4,9-tetrahydro-1H-carbazol-1-one based on using two different reagents: Antioxidant activity and DFT studies
(Elsevier, 2022)
C-2 and C-6 monoalkyl nitrile substituted reactant (1) , which constitute the tricyclic framework of car- bazole derivatives along with the substructure of the Strychnos alkaloids family, have been synthesized by using ...
Experimental and DFT Modeling Studies for the Adsorptive Removal of Reactive Dyes from Wastewater
(CRC Press Taylor Francis, 2022)
The current research demonstrates the adsorptive removal of RY-18, RR-2, RB-13, and RB-171 dyes
from wastewater samples using p-diethylaminomethylcalix[4]arene silica appended (DSA) resin.
The DSA resin shows high ...