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Haydar Abdulhakim Mohammad-Salim

Area interest

    Computational Chemistry Molecular Electron Density Theory (MEDT) Drug Design Molecular Docking Molecular Dynamic Simulations (MD) Density Functional Theory (DFT) Water and Wastewater Treatment Nano-Catalyst Photo-catalyst Cycloaddition Reactions Spectrophotometry

Specialties

    Quantum Chemistry Computational Chemistry Physical Chemistry Analytical Chemistry

Language

  • Kurdish (Native)
  • Arabic (Proficiency)
  • English (Proficiency)
  • Spanish (Basic)

Social Links

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Education

PostDoc in Molecular Topology and Drug Design

2024

Doctor of Philosophy

2020

Master of Science

2012

Bachelor of Science

2009

Academic Title
2020

Assistant Professor

2020-12-16
2016

Lecturer

2016-09-18
2013

Assistant Lecturer

2013-05-28

Thesis
2020

Ph.D.: Computational Investigation of the Mechanism and Regioselectivity of Some Cycloaddition Reactions

2020-05-05
2012

MSc: Heterogeneous Nanocatalytic Ozonation

2012-12-12

Published Journal Articles
2024

Elucidating the mechanism and selectivity of [3 + 2] cycloaddition: a DFT and molecular docking investigation of the reaction of 6-butoxy-5,6-dihydro-4H-1,2-oxazine 2-oxide with dimethyl maleate

2024-09

Synergistic synthesis and computational analysis of novel indazole-2-Pyrone hybrids: Toxicity, Hirshfeld surface insights, and antiviral potential against HIV-1 and Coronaviruses

2024-09

Unveiling the Ro60-Ro52 complex

2024-08

Identification of potential dipeptidyl peptidase IV inhibitors from the ConMedNP library by virtual screening, and molecular dynamics methods

2024-08

Molecular docking, expounding the chemo-, regio-selectivity, and the mechanism of [3+ 2] cycloloaddition reaction between nitrile-imine and (thio)-chalcone

2024-06

Unveiling the mechanism and selectivity of the [3 + 2] cycloaddition reactions of nitrone with acetylene derivatives leading to anticancer 4-isoxazoline derivatives from the MEDT perspective

2024-05

Exploring the synthesis and application of a pyrazole derivative in corrosion protection: Theoretical modeling and experimental investigations

2024-05

Unveiling [3+ 2] cycloaddition reactions of diphenyl diazomethane to thiobenzophenone and cycloaliphatic thioketones in the light of molecular electron density theory

2024-05

Synthesis, X-ray analysis, and antiviral evaluation of allohimachalol: Insights into stereoselectivity in epoxidation

2024-02

A molecular electron density theory study to understand intramolecular [3 + 2] cycloaddition reactions of azides and diazoalkanes

2024-01
2023

Diastereoselective green synthesis of pyrrolo[1,2-a]quinolines via [3+2] cycloaddition reaction: insights from molecular electron density theory

2023-11

Unveiling the mechanism, regiochemistry and substituent effects of the [3 + 2] cycloaddition reactions of C, N-diaryl nitrile imine to ethylene derivatives from the molecular electron density theory perspective

2023-11

Investigation of the molecular mechanism and diastereoselectivity in the [3 + 2] cycloaddition reaction between acetonitrile oxide and Cis-3,4-Dichlorocyclobutene: Insights from MEDT and docking study

2023-08

Theoretical insight into the mechanism and selectivity of the [3 + 2] cycloaddition reaction of N-methyl-1-phenylmethanimine oxide and bicyclopropylidene from the MEDT perspective

2023-07

Unveiling the Stereoselectivity and Regioselectivity of the [3+ 2] Cycloaddition Reaction between N-methyl-C-4-methylphenyl-nitrone and 2-Propynamide from a MEDT Perspective

2023-05

Unveiling substituent effects in [3+ 2] cycloaddition reactions of benzonitrile N-oxide and benzylideneanilines from the molecular electron density theory perspective

2023-03
2022

Insights into the mechanism and stereoselectivity of the [3+2] cycloaddition reaction between N‑methyl‑C‑(4‑hydroxylphenyl) nitrone and maleic anhydride with a molecular electron density theory perspective

2022-06

Unveiling the synthesis of spirocyclic, tricyclic, and bicyclic triazolooxazines from intramolecular [3 + 2] azide-alkyne cycloadditions with a molecular electron density theory perspective

2022-01
2021

Unveiling the regioselective synthesis of antiviral 5-isoxazol-5-yl-2'deoxyuridines with a molecular electron density theory perspective

2021-12

Ab initio Study of Diels-Alder Reaction between Cyclic Dienes and Olefin

2021-09

Theoretical Study of The Reaction of Ketene with Methanimine Using DFT Method

2021-08

A molecular electron density theory study of the [3+ 2] cycloaddition reaction of nitronic ester with methyl acrylate

2021-07

Unveiling [3+ 2] cycloaddition reactions of benzonitrile oxide and diphenyl diazomethane to cyclopentene and norbornene: a molecular electron density theory perspective

2021-07

Understanding the Reactivity of C-Cyclopropyl-N-Methylnitrone Participating in [3+2] Cycloaddition Reactions Towards Styrene with a Molecular Electron Density Theory Perspective

2021-01

Insights into the mechanism and regioselectivity of the [3+2] cycloaddition reactions of cyclic nitrone to nitrile functions with a molecular electron density theory perspective

2021-01

Unveiling the high regioselectivity and stereoselectivity within the synthesis of spirooxindolenitropyrrolidine: A molecular electron density theory perspective

2021-01
2020

A Molecular Electron Density Theory Study for [3+2] Cycloaddition Reactions of N-Benzylcyclohexylnitrone with Methyl-3- butenoate

2020-11

U nderstanding the Reactivity of Trimethylsilyldiazoalkanes Participating in [3+2] Cycloaddition Reactions towards Diethylfumarate with a Molecular Electron Density Theory Perspective

2020-10

A molecular electron density theory study for [3 + 2] cycloaddition reactions of 1‐pyrroline‐1‐oxide with disubstituted acetylenes leading to bicyclic 4‐isoxazolines

2020-10

Insights into the mechanism and regiochemistry of the 1,3-dipolar cycloaddition reaction between benzaldehyde and diazomethane

2020-08

Oxygen Functionalized and Pristine Carbon Nanotubes Efficiency for Adsorption of Methyl Orange Dye

2020-05

The Theoretical Study on the Mechanism of [3+ 2] Cycloaddition Reactions between α, β-unsaturated Selenoaldehyde with Nitrone and with Nitrile Oxide

2020-04

Carbon Nanotubes for Removal of Fast Green Dye

2020-04

Mechanistic study of the [2+ 2] cycloaddition reaction of cyclohexenone and its derivatives with vinyl acetate

2020-02
2019

Molecular Structure and Spectroscopic Studies of Some Diazo Dyes Compounds using DFT Method

2019-12

Theoretical Study of the [4+ 2] Cycloaddition Reaction of Trifluoroethylene with Five-membered Chalcogens Heterocyclic Compounds

2019-12

Theoretical Study for the [2+ 2] Cycloaddition Reaction Mechanism of Ketenes and their Derivatives

2019-10

Electrochemical Degradation of Alizarin Black Dye in Aqueous Medium using Fe/Al Electrode

2019-06
2018

Stereoselectivity and Regioselectivity of the Cycloaddition Dimerization of allyl 3-(2-pyridyl) acrylate and allyl 3-(2-pyrryl) acrylate: DFT Calculations

2018-12

Photo-catalytic degradation of Toluidine Blue Dye in Aqueous Medium Under Fluorescent Light

2018-11

Mechanism and Thermodynamic Parameters of Paternὸ-Büchi Reaction of Benzene and Furan: DFT Study

2018-11
2017

Adsorption of Cr (Vi) Ion from Aqueous Solutions by Solid Waste of Potato Peels

2017-09

Estimation and Correlation Analysis of Heavy Metals of Some Well Water in Zakho City, Iraq

2017-06
2016

FENTON DEGRADATION OF FAST GREEN DYE

2016-04

Removal of Acid Alizarin Black Dye from Aqueous Solution by Adsorption Using Zinc Oxide

2016-03
2015

Photodegradation Study of Toluidine Blue Dye in Aqueous Solution using Magnesium Oxide as a Photocatalyst

2015-09

Photodegradation of Alizarin Black S Dye Using Zinc Oxide

2015-08

A comparison study of two different types of clay for heterogeneous photo degradation of dye

2015-02
2014

Multi-walled carbon nanotubes for heterogeneous nanocatalytic ozonation

2014-10

Homogeneous Photocatalytic Degradation of Acid Alizarin Black Using Hydrogen Peroxide

2014-10

PHOTOCATALYTIC DEGREDATION OF ACID ALIZARIN BLACK USING POWDER AND NANOPARTICLES OF TITANIUM DIOXIDE

2014-06

Conference
2019

Molecular Structure and Spectroscopic Studies of Some Diazo Dyes Compounds using DFT Method

2019-12

Electrochemical Degradation of Alizarin Black Dye in Aqueous Medium Using Fe/Al Electrode

2019-04
2018

Mechanism and Thermodynamic Parameters of Paternὸ-Büchi Reaction of Benzene and Furan: DFT Study

2018-10

Stereoselectivity and Regioselectivity of the Cycloaddition Dimerization of allyl 3-(2-pyridyl) acrylate and allyl 3-(2-pyrryl) acrylate: DFT Calculations

2018-08
2017

Heterogeneous Photodegradation of Dye Using Two Different Types of Local Clays as a Catalysts

2017-04

FENTON DEGRADATION OF FAST GREEN DYE

2017-04

Workshop
2013

EndNote X4

2013-07