H. Moustafa

发表

Novel Cr (III), Fe (III) and Ru (III) Vanillin Based Metallo‐Pharmaceuticals for Cancer and Inflammation Treatment: Experimental and Theoretical Studies

A. Nafady, A. Alsalme, S. Abdel-Fatah, 2019, Applied Organometallic Chemistry.

Transition dipole moment change through proton transfer in 2-mercapto-6-phenylpyridine-3-carbonitrile, computational chemistry study

H. Moustafa, M. Abdel-Latif, A. Abdel-khalek, 2021, Theoretical Chemistry Accounts.

Density Functional Theory, Chemical Reactivity, Pharmacological Potential and Molecular Docking of Dihydrothiouracil-Indenopyridopyrimidines with Human-DNA Topoisomerase II

Mahmoud A. Noamaan, H. Butt, H. Moustafa, 2020, International journal of molecular sciences.

Ni(II) and Cu(II) complexes with ONNO asymmetric tetradentate Schiff base ligand: synthesis, spectroscopic characterization, theoretical calculations, DNA interaction and antimicrobial studies

A. Abu‐Dief, L. Abdel‐Rahman, H. Moustafa, 2017 .

DFT, Electronic absorption spectra and Non-linear optical properties of some 4H-benzo[h]chromene Derivatives. Solvent effect and TD-DFT Approach

H. Moustafa, 2021, Egyptian Journal of Chemistry.

DFT calculations, spectroscopic, thermal analysis and biological activity of Sm(III) and Tb(III) complexes with 2-aminobenzoic and 2-amino-5-chloro-benzoic acids.

A. Essawy, M. Afifi, H. Moustafa, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Indo-mo investigation of gas-phase acidities of carbamates and thiocarbamates.

M. Hamed, R. Hilal, H. Moustafa, 1986, Biophysical chemistry.

Spectrophotometric methods manipulating ratio spectra for simultaneous determination of binary mixtures with sever overlapping spectra: a comparative study.

H. Moustafa, Y. Fayez, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis, spectroscopic properties, density functional theory calculations and nonlinear optical properties of novel complexes of 5‐hydroxy‐4,7‐dimethyl‐6‐(phenylazo)coumarin with Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) metal ions

S. A. Abdel-Latif, H. Moustafa, S. A. Abdel‐Latif, 2018 .

Carbon‐based Nanosensors for Salicylate Determination in Pharmaceutical Preparations

M. Bechelany, A. Barhoum, M. Rizk, 2019, Electroanalysis.

Spectroscopic studies, Density Functional Theory calculations, and non‐linear optical properties of binuclear Fe( III ), Co( II ), Ni( II ), Cu( II ), and Zn( II ) complexes of OONN Schiff base ligand

S. Elramly, G. Mohamed, H. Moustafa, 2020 .

Experimental and theoretical electronic absorption spectra of 2,4‐diphenyl‐1,5‐benzothiazepine and its derivatives: Solvatochromic effect and time dependent density functional theory approach

S. Elramly, H. Moustafa, Mohamed Elsayed Elshakre, 2019, Journal of the Chinese Chemical Society.

Design and nonlinear optical properties (NLO) using DFT approach of new Cr(III), VO(II), and Ni(II) chelates incorporating tri-dentate imine ligand for DNA interaction, antimicrobial, anticancer activities and molecular docking studies

A. Abu‐Dief, L. Abdel‐Rahman, H. Moustafa, 2017 .

Synthesis, characterization, electronic structure, and non‐linear optical properties (NLO) of Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes with 5‐phenylazo‐8‐hydroxyquinoline using DFT approach

S. A. Abdel-Latif, H. Moustafa, 2017 .

Electronic structure and nonlinear optical properties (NLO) of 2,4-di-aryl-1,5-benzothiazepine derivatives using DFT approach

S. Elramly, H. Moustafa, Mohamed Elsayed Elshakre, 2017 .

Electronic Structure and Spectra of Some Carbamates INDO/S‐CI Treatment

M. Hamed, R. Hilal, A. El-Kourashy, 1991 .

Synthesis, spectroscopic, DFT calculations and biological activity studies of ruthenium carbonyl complexes with 2-picolinic acid and a secondary ligand

H. Moustafa, Rania G. Mohamed, H. Moustafa, 2016 .

Electronic spectra and DFT calculations of some pyrimido[1,2-a]benzimidazole derivatives.

H. Moustafa, Mohamed Elsayed Elshakre, H. M. Hassaneen, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Cospatial σ-Hole and Lone Pair Interactions of Square-Pyramidal Pentavalent Halogen Compounds with π-Systems: A Quantum Mechanical Study

J. Al-Fahemi, Mahmoud A. A. Ibrahim, S. El-Taher, 2021, ACS omega.

Synthesis, spectroscopic, thermal and DFT calculations of 2-(3-amino-2-hydrazono-4-oxothiazolidin-5-yl) acetic acid binuclear metal complexes.

W. Hassan, S. Elramly, G. Mohamed, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic and density functional theory investigation of novel Schiff base complexes.

W. Hassan, G. Mohamed, H. Moustafa, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis, theoretical investigations, biocidal screening, DNA binding,in vitrocytotoxicity and molecular docking of novel Cu (II), Pd (II) and Ag (I) complexes of chlorobenzylidene Schiff base: Promising antibiotic and anticancer agents

A. Abu‐Dief, L. Abdel‐Rahman, H. Moustafa, 2018, Applied Organometallic Chemistry.

Spectroscopic, crystal structural, theoretical and biological studies of phenylacetohydrazide Schiff base derivatives and their copper complexes

M. Haukka, R. Ramadan, M. Afifi, 2020 .

Synthesis, characterization, NLO properties, antimicrobial, CT-DNA binding and DFT modeling of Ni(II), Pd(II), Pt(II), Mo(IV) and Ru(I) complexes with NOS Schiff base

Rania G. Mohamed, H. Moustafa, Fatma M. Elantabli, 2019, Journal of Molecular Structure.

Spectroscopic, thermal, biological activity, molecular docking and density functional theoretical investigation of novel bis Schiff base complexes

W. Hassan, G. Mohamed, H. Moustafa, 2018 .

Effect of the formation of silver nano‐binuclear complex on the refinement of cytotoxic and antibacterial potency of coumarin Schiff base: Spectroscopy, thermal, X‐ray diffraction analyses and density functional theory calculations

H. Moustafa, A. El‐Ansary, N. Abdel‐Kader, 2019, Applied Organometallic Chemistry.

Spectroscopic, DNA binding ability, biological activity, DFT calculations and non linear optical properties (NLO) of novel Co(II), Cu(II), Zn(II), Cd(II) and Hg(II) complexes with ONS Schiff base

H. Moustafa, Fatma M. Elantabli, A. A. A. Aziz, 2017 .

Electronic Absorption Spectra of Some Triazolopyrimidine Derivatives

R. Hilal, M. Shibl, H. Moustafa, 2011 .

DFT calculations and electronic absorption spectra of some, α- and γ-pyrone derivatives.

W. Hassan, S. A. Halim, H. Moustafa, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic, density functional theory, nonlinear optical properties and in vitro biological studies of Co(II), Ni(II), and Cu(II) complexes of hydrazide Schiff base derivatives

M. Haukka, R. Ramadan, M. Afifi, 2021 .

A coumarin Schiff base and its Ag(i) and Cu(ii) complexes: synthesis, characterization, DFT calculations and biological applications

H. Moustafa, A. El‐Ansary, N. Abdel‐Kader, 2021 .

Orbital (NBO) and Non Linear Optical Properties (NLO) of Novel Co(II), Cu(II), Zn(II), Cd(II) and Hg(II) Complexes with ONS Schiff base

H. Moustafa, Fatma M. Elantabli, A. A. A. Aziz, 2018 .

Integrated experimental and theoretical insights for Malachite Green Dye adsorption from wastewater using low cost adsorbent.

H. Moustafa, S. A. El-Molla, S. Ibrahim, 2021, Water science and technology : a journal of the International Association on Water Pollution Research.

The electronic structure of some acyl azides: cyclic–open tautomerism

R. Abu-eittah, H. Moustafa, A. Al-Omar, 2000 .

EPR dosimetric properties of 2-methylalanine pellet for radiation processing application

H. Moustafa, Y. Soliman, L. I. Ali, 2014 .

Comparative MO investigation of hindered rotation and thermal decomposition of carbamates and thiocarbamates.

M. Hamed, R. Hilal, H. Moustafa, 1986, Biophysical chemistry.

Equilibrium geometry and electronic structure of benzylidene, arylethylidene, and heterocyclic arylidene malononitriles

M. Hamed, R. Hilal, S. El-Taher, 1994 .

Quantum mechanical calculations of amino pyrazole derivatives as corrosion inhibitors for zinc, copper and α-brass in acid chloride solution

A. A. G. Allah, H. Moustafa, 1992 .

Electronic Structure and Ground State Properties of PMMA Polymer: I. Step-By-Step Formation and Stereo-Regularity of the Polymeric Chain—AM1-MO Treatment

S. M. Sayyah, H. Moustafa, A. Khaliel, 2005 .

Journal of Physical and Theoretical Chemistry

S. A. Halim, H. Moustafa, 2018 .

Electronic structure of the peptide linkage. I. Equilibrium geometry and electronic properties of formhydroxamic acid

R. Hilal, H. Moustafa, 1984 .