Egyptian Journal of Chemistry

Keywords = DFT

New organotellurium compounds based on camphor, aniline and ptoluidine: preparation, characterization, and theoretical study

Volume 65, Issue 2, February 2022, Pages 19-27

10.21608/ejchem.2021.79236.3893

Nuha H. Al-Saadawy

Electronic Cigarettes Flavoring Chemicals: Theoretical Insights on Reactivities, Bond Dissociation Energy and Photophysical Characteristics

Volume 64, Issue 11, November 2021, Pages 6457-6463

10.21608/ejchem.2021.75554.3704

Mohamed Sabry Ahmed Abdel-Mottaleb; Yousra Abdel-Mottaleb

Chemical Reactivity Study of Anew of Suggested Chemotherapy Agent Using DFT

Volume 64, Issue 10, October 2021, Pages 5607-5612

10.21608/ejchem.2021.78206.3820

Lekaa Husinsa Khdaim; Abbas A-Ali Draea

New Mercurated and Tellurated Sulpha Compounds: Synthesis, Invitro Anticancer Study and DFT Calculation.

Volume 64, Issue 10, October 2021, Pages 5755-5764

10.21608/ejchem.2021.70573.3558

Raed Alharis; Rafid H. Al-Asadi; Dhia A. Hassan

Density Functional Theory and Molecular Modeling Studies of New 4-(Furan-2-yl) Thiazol-2-Amine Derivatives as Cyclooxygenase Inhibitors

Volume 64, Issue 9, September 2021, Pages 4833-4841

10.21608/ejchem.2021.65295.3397

Sarah M. Omran; Basma M. Abd Razik; Monther F. Mahdi

Synthesis, Characterization, Antimicrobial, MTT assay, DFT study of Co(II), Ni(II), Cu(II) and Zn(II) Complexes with some New Schiff Base Ligands

Volume 64, Issue 9, September 2021, Pages 4995-5008

10.21608/ejchem.2021.47433.2964

Deepak Tomar; Madhuri Chaurasia; Prateek Tyagi; Swati Agrawal; Pravita Kumar; Deepansh Sharma; Aruna Chhikara; Sulekh Chandra

Physical properties and biological activity of methyldopa drug carrier cellulose derivatives. Theoretical study

Volume 64, Issue 8, August 2021, Pages 4081-4090

10.21608/ejchem.2021.67857.3479

Mudeer mubarak merza; fadhela M. Hussein; Ramzie R. AL-ani

Spectroscopic characterization, thermogravimetric, DFT and biological studies of some transition metals complexes with mixed ligands of meloxicam and 1,10 phenanthroline

Volume 64, Issue 8, August 2021, Pages 4197-4208

10.21608/ejchem.2021.56086.3211

Sadeek A. Sadeek; Amira Ahmed Mohamed; Wael A Zordok; Hanem M Awad; Sherif Mohamed Abd El-Hamid

Electrical Conductance And Theoretical Study Of Glutamic Acid In Different Solvents at 310.16k

Volume 64, Issue 8, August 2021, Pages 4359-4367

10.21608/ejchem.2021.67200.3448

Shaymaa H. Abdulrahman; Fanar M. Al-Healy

Study of Suggested Chemotherapy Agent of bis ((S) -3-methoxycarbamoyl pentanoate) di chloride bis (ethyl amine) platinum (IV))MPP) using DFT

Volume 64, Issue 7, July 2021, Pages 3405-3411

10.21608/ejchem.2021.62383.3338

Nasir Hamza Kazim; Lekaa Hussain Khadim

ICMMS-2: First principles investigation of electronic properties of graphene doped with Al and N atoms

Volume 64, Issue 3, March 2021, Pages 1117-1123

10.21608/ejchem.2021.55845.3180

Elham A. Mohamed; Afnan Z. Mohamed; Fadl M. Abou El-Ela; Samy H. Aly

ICMMS-2: Metal−organic Frameworks for Hydrogen Storage: Theoretical Prospective

Volume 64, Issue 3, March 2021, Pages 1133-1140

10.21608/ejchem.2021.55853.3182

Lobna A. Heikal; Walid M.I. Hassan; Asmaa S. Hamouda; Hamdy F. M. Mohamed; Ahmed H. El-shazly; Medhat A. Ibrahim

ICMMS-2: Molecular Modeling Analyses of Polyvinyl Alcohol/ Sodium Alginate/ZnO Composite

Volume 64, Issue 3, March 2021, Pages 1149-1166

10.21608/ejchem.2021.55865.3184

Ahmed Fahmy; Rasha M. Khafagy; Hanan Elhaes; Medhat A. Ibrahim

ICMMS-2: Computational DFT Study of Gold Containing PVP/PEO/Gold Organometallic Polymer Nanocomposites

Volume 64, Issue 3, March 2021, Pages 1187-1195

10.21608/ejchem.2021.55871.3187

A.M. Abdelghany; M. I. Youssif; E.M. Abdelrazek; D.S. Rashad

ICMMS2: Molecular Modeling Study for Graphene modified with CH3, COOH, NH2 and O2

Volume 64, Issue 3, March 2021, Pages 1229-1238

10.21608/ejchem.2021.56380.3212

Aya A. Mohamed; Lobna Salah; Medhat A. Ibrahim

Theoretical Study for Isomerization of Some 2´-Hydroxychalcone Derivative by Using DFT Calculation

Volume 64, Issue 2, February 2021, Pages 703-711

10.21608/ejchem.2020.34194.2716

Said Abdelqader Said; Omar Adil Shareef; Zainab W Majed

Application of Graphene/Nickel Oxide Composite as a Humidity Sensor

Volume 64, Issue 1, January 2021, Pages 85-91

10.21608/ejchem.2020.36453.2753

Ahmed M. Bayoumy; Islam Gomaa; Hanan Elhaes; Mohamed Sleim; Medhat A. Ibrahim

3D-Molecular Modeling, Antibacterial Activity and Molecular Docking Studies of Some Imidazole Derivatives

Volume 64, Issue 1, January 2021, Pages 93-105

10.21608/ejchem.2020.31043.2662

Dhafer S. Zinad; Ahmed Mahal; Abdulqader M. A-Qader; Siswandono Siswodihardjo; Mohammad Rizki Fadhil Pratama; Ranjan Mohapatra

Synthesis, Theoretical and Antimicrobial Activity Study of New Benzimidazole Derivatives

Volume 63, Issue 8, August 2020, Pages 2877-2886

10.21608/ejchem.2020.21324.2272

Ali Taher Mohi; Huda Ismail Al-Rubaye; Firyal Weli Askar; Hussein Jassim Abboud

Synthesis, DFT and Antimicrobial Studies of 5,6,7,8- Tetrachloro Phthalazin-1-ol and 2,3-Benzoxazin-1(2H)-one Derivatives

Volume 63, Issue 5, May 2020, Pages 1767-1777

10.21608/ejchem.2019.16936.2036

Sameh A. Rizk; Mohamed Fathy Youssef; Ahmed M. Mubarak

Cadmium Ions Pollution Treatments in Aqueous Solution Using Electrochemically Synthesized Gamma Aluminum Oxide Nanoparticles with DFT study

Volume 63, Issue 2, February 2020, Pages 417-424

10.21608/ejchem.2019.16882.2026

Dhia Hadi Hussain; Ahmed Mahdi Rheima; Shaimaa Hamed Jaber; Mustafa Mohammed kadhim

Analysis of Optical, Electronic and Spectroscopic Properties of (Biopolymer-SiC) Nanocomposites for Electronics Applications

Volume 62, Issue 9, September 2019, Pages 1659-1672

10.21608/ejchem.2019.7154.1590

Ahmed Hashim; Hayder Abduljalil; Hind Ahmed

Molecular Electrostatic Potential Mapping for PANI Emeraldine Salts and Ag@PANI core-shell

Volume 62, The First International Conference on Molecular Modeling and Spectroscopy 19-22 February, 2019, July 2019, Pages 99-109

10.21608/ejchem.2019.12746.1791

N. M. Farrage; A. H. Oraby; E. M. Abdelrazek; D. Atta

Synthesis, Characterization, DFT of Novel, Symmetrical, N/O-donor Tetradentate Schiff’s base, Its Co(II), Ni(II), Cu(II), Zn(II) Complexes and Their in-vitro Human Pathogenic Antibacterial Activity

Volume 62, Issue 2, February 2019, Pages 291-310

10.21608/ejchem.2018.3991.1395

Satish Chand; Monika Tyagi; Prateek Tyagi; Sulekh Chandra; Deepansh Sharma

Journal Archive

Volume 67 (2024)

Volume 66 (2023)

Volume 65 (2022)

Volume 64 (2021)

Volume 63 (2020)

Volume 62 (2019)

Volume 61 (2018)

Volume 60 (2017)

Volume 59 (2016)

Volume 58 (2015)

Volume 57 (2014)

Volume 56 (2013)

Volume 55 (2012)

Volume 54 (2011)

Volume 53 (2010)