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A Computational Exploration of H2S and CO2 Capture by Ionic Liquids Based on α-Amino Acid Anion and N7,N9-Dimethyladeninium Cation.Sensing Ability of Hybrid Cyclic Nanopeptides Based on Thiourea Cryptands for Different Ions, A Joint DFT-D3/MD Study.Cyclic Nanostructures of Tungsten Oxide (WO3) n (n = 2-6) as NO x Gas Sensor: A Theoretical StudyComputational Kinetic Modeling of the Catalytic Cycle of Glutathione Peroxidase Nanomimic: Effect of Nucleophilicity of Thiols on the Catalytic Activity.Computational Modeling of the Catalytic Cycle of Glutathione Peroxidase Nanomimic.Molecular dynamic simulation and DFT study on the Drug-DNA interaction; Crocetin as an anti-cancer and DNA nanostructure model.Structure-activity relationship for Fe(III)-salen-like complexes as potent anticancer agents.Anchoring Group and π-Spacer Effects on the Dynamics and Kinetics of the Photovoltaic Processes in the Quinoxaline-Based Organic Dye-Sensitized Solar CellsTheoretical evaluation of symmetrical α,α′,δ,δ′-tetramethyl cucurbit[6]uril for haloalkane 1-(3-chlorophenyl)-4-(3-chloropropyl)-piperazinium and chloroform encapsulationComputational modeling of the photovoltaic activities in EABX3 (EA = ethylammonium, B = Pb, Sn, Ge, X = Cl, Br, I) perovskite solar cellsCarbon Dioxide Absorption by the Imidazolium–Amino Acid Ionic Liquids, Kinetics, and Mechanism ApproachEvaluation of N—H...S and N—H...π interactions in O,O′-diethyl N-(2,4,6-trimethylphenyl)thiophosphate: a combination of X-ray crystallographic and theoretical studiesThe role of the electronic structure and solvent in the dye-sensitized solar cells based on Zn-porphyrins: Theoretical studyA combined molecular dynamic and quantum mechanic study of the solvent and guest molecule effect on the stability and length of heterocyclic peptide nanotubesTheoretical design of the cyclic lipopeptide nanotube as a molecular channel in the lipid bilayer, molecular dynamics and quantum mechanics approachSize-controlled synthesis of SnO2 nanoparticles using reverse microemulsion methodQuantum Chemistry Aspects of the Solvent Effects on 3,4-Dimethyl-2,5-dihydrothiophen-1,1-dioxide Pyrolysis ReactionThe first coordination polymers with an [O]2[N]P(S)-Hg segment: a combined experimental, theoretical and database studyEvaluation and understanding the performances of various derivatives of carbonyl-stabilized phosphonium ylides in CO2 transformation to cyclic carbonatesSolvent Effects on Intra-/Intermolecular Charge Transfer in Indoloquinoxaline-Based DyesA simple paper-based aptasensor for ultrasensitive detection of lead (II) ionThe investigation of the G-quadruplex aptamer selectivity to Pb2+ ion: a joint molecular dynamics simulation and density functional theory study
P50
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P50
description
researcher, ORCID id # 0000-0002-3795-9982
@en
wetenschapper
@nl
name
M. Izadyar
@ast
M. Izadyar
@en
M. Izadyar
@es
M. Izadyar
@nl
type
label
M. Izadyar
@ast
M. Izadyar
@en
M. Izadyar
@es
M. Izadyar
@nl
prefLabel
M. Izadyar
@ast
M. Izadyar
@en
M. Izadyar
@es
M. Izadyar
@nl
P1053
P-4498-2015
P106
P1153
6506561836
P31
P3829
P496
0000-0002-3795-9982