List of works - M. Izadyar

A Computational Exploration of H2S and CO2 Capture by Ionic Liquids Based on α-Amino Acid Anion and N7,N9-Dimethyladeninium Cation.

scientific article published on 18 May 2017

A combined molecular dynamic and quantum mechanic study of the solvent and guest molecule effect on the stability and length of heterocyclic peptide nanotubes

scientific article published in 2015

A simple paper-based aptasensor for ultrasensitive detection of lead (II) ion

scientific article published on 24 April 2019

Anchoring Group and π-Spacer Effects on the Dynamics and Kinetics of the Photovoltaic Processes in the Quinoxaline-Based Organic Dye-Sensitized Solar Cells

Carbon Dioxide Absorption by the Imidazolium–Amino Acid Ionic Liquids, Kinetics, and Mechanism Approach

scientific article published on 25 June 2018

Computational Kinetic Modeling of the Catalytic Cycle of Glutathione Peroxidase Nanomimic: Effect of Nucleophilicity of Thiols on the Catalytic Activity.

scientific article published on 7 December 2017

Computational Modeling of the Catalytic Cycle of Glutathione Peroxidase Nanomimic.

scientific article

Computational modeling of the photovoltaic activities in EABX3 (EA = ethylammonium, B = Pb, Sn, Ge, X = Cl, Br, I) perovskite solar cells

Cyclic Nanostructures of Tungsten Oxide (WO3) n (n = 2-6) as NO x Gas Sensor: A Theoretical Study

scientific article published on 2 December 2014

DFT study on the selective complexation of B12N12 nanocage with alkali metal ions

Evaluation and understanding the performances of various derivatives of carbonyl-stabilized phosphonium ylides in CO2 transformation to cyclic carbonates

scientific article published on 04 December 2019

Evaluation 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 studies

scientific article published on 18 June 2018

Molecular dynamic simulation and DFT study on the Drug-DNA interaction; Crocetin as an anti-cancer and DNA nanostructure model

scientific article published on 22 March 2017

Particle size effects in Fischer-Tropsch synthesis by Co catalyst supported on carbon nanotubes

Quantum Chemistry Aspects of the Solvent Effects on 3,4-Dimethyl-2,5-dihydrothiophen-1,1-dioxide Pyrolysis Reaction

scientific article published on 13 March 2013

Quantum chemistry study on the mechanism of oxidation of cysteine to cystine using hydrogen peroxide

scholarly article by Mohammad Khavani et al published 17 March 2015 in Phosphorus, Sulfur, and Silicon and the Related Elements

Sensing Ability of Hybrid Cyclic Nanopeptides Based on Thiourea Cryptands for Different Ions, A Joint DFT-D3/MD Study

scientific article published on 19 December 2016

Size-controlled synthesis of SnO2 nanoparticles using reverse microemulsion method

Solvent Effects on Intra-/Intermolecular Charge Transfer in Indoloquinoxaline-Based Dyes

scientific article published on 21 March 2019

Structure-activity relationship for Fe(III)-salen-like complexes as potent anticancer agents.

scientific article published on 6 April 2014

The first coordination polymers with an [O]2[N]P(S)-Hg segment: a combined experimental, theoretical and database study

scientific article published on 29 November 2019

The investigation of the G-quadruplex aptamer selectivity to Pb2+ ion: a joint molecular dynamics simulation and density functional theory study

scientific article published on 18 September 2019

The role of the electronic structure and solvent in the dye-sensitized solar cells based on Zn-porphyrins: Theoretical study

Theoretical Design of Functionalized Gold Nanoparticles as Antiviral Agents against Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2)

scientific article published on 23 November 2020

Theoretical design of the cyclic lipopeptide nanotube as a molecular channel in the lipid bilayer, molecular dynamics and quantum mechanics approach

article

Theoretical evaluation of symmetrical α,α′,δ,δ′-tetramethyl cucurbit[6]uril for haloalkane 1-(3-chlorophenyl)-4-(3-chloropropyl)-piperazinium and chloroform encapsulation

Theoretical study on the absorption of carbon dioxide by DBU-based ionic liquids

scientific article published on 01 September 2020

List of works by M. Izadyar