Ismail Warad
0000-0001-8853-8961
419 papers found
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XRD/HSA, noncovalent interactions and influence of solvent polarity on spectral properties of dithiocarbazate schiff base and its cis-Cu(II) complex: Experimental and theoretical studies
Synthesis, characterization, reaction mechanism prediction and biological study of Mono, Bis and Tetrakis Pyrazole derivatives against Fusarium oxysporum f. sp. Albedinis with Conceptual DFT and Ligand-protein docking studies
Anticorrosion and adsorption performance of expired antibacterial drugs on Sabic iron corrosion in HCl solution: Chemical, electrochemical and theoretical approach
One-Pot Microwave-Assisted Synthesis of Water-Soluble Pyran-2,4,5-triol Glucose Amine Schiff Base Derivative: XRD/HSA Interactions, Crystal Structure, Spectral, Thermal and a DFT/TD-DFT
Equilibrium and kinetic studies for removal of antiviral sofosbuvir from aqueous solution by adsorption on expanded perlite: Experimental, modelling and optimization
Hemilabile trans/cis-isomerism in [(P∩OO)2RuCl2(N∩N)], XRD/HSA-interactions, C–H⸱⸱⸱Cl-Ru(II) supramolecular synthon, solvatochromism, thermal and A DFT/TD-DFT computation
Chemical composition and inhibition effect of eucalyptus botryoides on the corrosion of C38 steel in hydrochloric acid solution
Experimental and theoretical approaches for interfacial adsorption of novel long chain benzimidazolium derivatives for mild steel protection in 1 M HCL medium
XRD/HSA-interactions, Hirshfeld analysis, HOMO/LUMO and MEP of new N'-(di(pyridin-2-yl) methylene DFT) benzohydrazide
Optimization of roasting conditions on the bioactive compounds and their antioxidant power from opuntia fiscus-indica seeds using response surface methodology (Rsm)
Experimental, Quantum Chemical and Monte Carlo Simulation Studies on the Corrosion Inhibition of Mild Steel by Three New Schiff Base Derivatives
Design, XRD/HSA-interactions, spectral, thermal, Solvatochromism and DNA-binding of two [Cu(phen)(triene)]Br2 complexes: Experimental and DFT/TD-DFT investigations
Anti-corrosion performance of pyran-2-one derivatives for mild steel in acidic medium: Electrochemical and theoretical study
Synthesis, NMR, DFT, GRD, MEP, FMO’s analysis and comparison of E and Z-isomer of N'-((4-bromothiophen-2-yl)methylene)naphthalene-2-sulfonohydrazide
Investigation on tin electrodeposition from sulphuric acid medium
Exo⇔Endo Isomerism, MEP/DFT, XRD/HSA-Interactions of 2,5-Dimethoxybenzaldehyde: Thermal, 1BNA-Docking, Optical, and TD-DFT Studies
Mono-Alkylated Ligands Based on Pyrazole and Triazole Derivatives Tested Against Fusarium oxysporum f. sp. albedinis: Synthesis, Characterization, DFT, and Phytase Binding Site Identification Using Blind Docking/Virtual Screening for Potent Fophy Inhibitors
Synthesis, physicochemical, thermal, XDR/HSA-interactions of Trans-(1E,2E)-Benzil-O,O-dimethylsulfonyl dioxime: Cis-trans isomerization, DFT and TD-DFT investigation
Structure, conformational dynamics, quantum mechanical studies and potential biological activity analysis of multiple sclerosis medicine ozanimod
Experimental and first-principles study of a new hydrazine derivative for DSSC applications
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