Haydar Abdulhakim Mohammad-Salim

البحوث العلمية

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

Haydar Abdulhakim Mohammad-Salim

الاهتمامات البحثية

التخصصات

اللغات

الروابط الاجتماعية

التعليم

PostDoc in Molecular Topology and Drug Design

Doctor of Philosophy

Master of Science

Bachelor of Science

اللقب العلمي

2020

Assistant Professor

2016

Lecturer

2013

Assistant Lecturer

الاطاريح

2020

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

2012

MSc: Heterogeneous Nanocatalytic Ozonation

البحوث العلمية

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

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

Unveiling the Ro60-Ro52 complex

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

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

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

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

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

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

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

2023

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

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

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

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

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

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

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

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

2021

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

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

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

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

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

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

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

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

2020

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

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

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

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

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

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

Carbon Nanotubes for Removal of Fast Green Dye

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

2019

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

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

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

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

2018

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

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

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

2017

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

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

2016

FENTON DEGRADATION OF FAST GREEN DYE

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

2015

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

Photodegradation of Alizarin Black S Dye Using Zinc Oxide