about
Experimental and theoretical study of o-substituent effect on the fluorescence of 8-hydroxyquinolineOptical Absorption Spectra and Electronic Properties of Symmetric and Asymmetric Squaraine Dyes for Use in DSSC Solar Cells: DFT and TD-DFT Studies.Experimental and theoretical assignment of the vibrational spectra of triazoles and benzotriazoles. Identification of IR marker bands and electric response properties.Regioselectivity of 1,3-dipolar cycloadditions and antimicrobial activity of isoxazoline, pyrrolo[3,4-d]isoxazole-4,6-diones, pyrazolo[3,4-d]pyridazines and pyrazolo[1,5-a]pyrimidines.Tautomerization, acidity, basicity, and stability of cyanoform: a computational study.Towards understanding the decomposition/isomerism channels of stratospheric bromine species: ab initio and quantum topology studyToward the understanding of the metabolism of levodopa I. DFT investigation of the equilibrium geometries, acid-base properties and levodopa-water complexes.Does prop-2-ynylideneamine, HC≡CCH=NH, exist in space? A theoretical and computational investigationGas-Phase Thermal Tautomerization of Imidazole-Acetic Acid: Theoretical and Computational Investigations.Electronic structure and decomposition reaction mechanism of cyclopropenone, phenylcylopropenone and their sulfur analogues: a theoretical study.Hydration of the pyrimidine radical cation and stepwise solvation of protonated pyrimidine with water, methanol, and acetonitrile.Unconventional hydrogen bonding to organic ions in the gas phase: stepwise association of hydrogen cyanide with the pyridine and pyrimidine radical cations and protonated pyridine.Unconventional CH(δ+)···N hydrogen bonding interactions in the stepwise solvation of the naphthalene radical cation by hydrogen cyanide and acetonitrile molecules.Protonation and deprotonation enthalpies of alloxan and implications for the structure and energy of its complexes with water: a computational study.Gas-phase acidity and dynamics of the protonation processes of carbidopa and levodopa. A QM/QD study.Molecular design of donor-acceptor dyes for efficient dye-sensitized solar cells I: a DFT study.Interaction of polar and nonpolar organic pollutants with soil organic matter: sorption experiments and molecular dynamics simulation.Experimental and theoretical study of donor-π-acceptor compounds based on malononitrile.Multistep Synthesis of Fluorine-Substituted Pyrazolopyrimidine Derivatives With Higher Antibacterial Efficacy Based on In Vitro Molecular Docking and Density Functional TheoryPyran-Squaraine as Photosensitizers for Dye-Sensitized Solar Cells: DFT/TDDFT Study of the Electronic Structures and Absorption PropertiesPacking and Disorder in Substituted FullerenesElectronic structure of alloxan and its dimers: QM/QD simulations and quantum chemical topology analysis
P50
Q35139135-D36EEA61-C805-4B9D-9A18-28F6629884F6Q36846999-39C2CC77-8890-4A7D-98C4-F1159133D7AFQ39211357-36D12C90-9D98-44F8-92A9-74A02D0DA1E2Q39805225-8B4B68E3-3EC2-49F7-94D7-E2E2E28FBED1Q39854702-142DDC76-1023-494B-80BD-614E21CB2A8BQ40454674-FA1ED125-3D46-4ED3-A546-938C095507B6Q42147648-B8C80235-9F0D-4F8D-8A73-2E671C4EE4E6Q42737243-5BBA977F-59CA-4D52-94A9-3431DDE75DC0Q43152873-08508296-770C-414C-BE63-E68F123A6C90Q43850861-A74C3657-EF61-497D-868D-5BB3FB3E5A6AQ43860840-6FC90D66-2A87-48E1-AFC2-099EE34EB0B6Q45001635-82D4F125-7289-499D-87A1-8D9C53AEE8FDQ45024020-741E4068-8CB9-420F-A054-B1E497A705EAQ45141107-BB962502-1B86-465B-B452-E8007936AEFEQ46647384-7E9E0FE3-37FB-492B-A6AF-3ED1A31D69B5Q53540392-5D8DD671-948F-4A24-98A4-BB60D2D77A9CQ53814949-3C3F6F6E-1866-4CAD-BC5A-BE9A1CFEB049Q55018331-C8892846-C823-4000-B426-78E93E9D8071Q56995274-71C2B9E8-8AB6-4050-8606-E432F4A0B08CQ56997691-B2076A31-4E90-48E9-8588-247E89D283BDQ59451542-B61D5065-291B-4AA9-A1EE-6FC20445B18AQ86246654-7EC656D4-D99A-40D1-B5E3-02EDAA821D57
P50
description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Shaaban A. Elroby
@ast
Shaaban A. Elroby
@en
Shaaban A. Elroby
@es
Shaaban A. Elroby
@nl
type
label
Shaaban A. Elroby
@ast
Shaaban A. Elroby
@en
Shaaban A. Elroby
@es
Shaaban A. Elroby
@nl
prefLabel
Shaaban A. Elroby
@ast
Shaaban A. Elroby
@en
Shaaban A. Elroby
@es
Shaaban A. Elroby
@nl
P106
P31
P496
0000-0002-6739-824X