| Issue | Title | |
| Vol 24, No 4 (2024) | Synthesis, Physical, Chemical and DFT Properties of Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with Polydentate Schiff Base Derived from 1,2,4-Triazole | Abstract Full Text PDF Full Text PDF-Suppl. Data |
| Fatima Haitham Zuhair, Zahraa Salim Al-Garawi, Mahmoud Najim Al-jibouri, Gehad Genidy Mohamed, Abanoub Mosaad Abdallah | ||
| Vol 24, No 2 (2024) | The Impact of Substitution of Diphenyl Dialumene on the Molecular Structure and Energetic Properties | Abstract Full Text PDF |
| Salma Babikir, Sahar Abdalla, Wefag Mohamed, Yunusa Umar | ||
| Vol 25, No 5 (2025) | Free Radical Scavenging Activity of Chlorochalcones: An Integrated Computational and Experimental Study | Abstract Full Text PDF |
| Anita Dwi Puspitasari, Maria Ulfah, Indah Hartati, Rissa Laila Vifta, Faris Hermawan, Munifilia Ekasari, Lala Adetia Marlina | ||
| Vol 24, No 5 (2024) | DFT Insights into the Structural, Mechanical, Electronic and Optical Properties of Novel InZnCl3 and InCdCl3 Chloro-Perovskites | Abstract Full Text PDF |
| Redi Kristian Pingak, Zakarias Seba Ngara, Albert Zicko Johannes, Minsyahril Bukit, Jehunias Leonidas Tanesib, Fidelis Nitti, Hery Leo Sianturi, Bartholomeus Pasangka | ||
| Vol 20, No 3 (2020) | Prediction of Rashba Effect on Two-dimensional MX Monochalcogenides (M = Ge, Sn and X = S, Se, Te) with Buckled Square Lattice | Abstract Full Text PDF |
| Ibnu Jihad, Juhri Hendrawan, Adam Sukma Putra, Kuwat Triyana, Moh. Adhib Ulil Absor | ||
| Vol 23, No 4 (2023) | A Sustainable synthesis, eco-safe approach efficiency and DFT study of novel 5,6,7,8-Tetrahyroquinazolin-2(1H)-one derivatives as antioxidant reagents | Abstract Full Text PDF |
| Mohammed Abed Kadhim, Amin Farouk Mohamed Fahmy, Emad Khelil Mohammed Zangana, Aya Ibrahim Hassaballah, Sameh Ahmed Rizk | ||
| Vol 22, No 2 (2022) | Copper Corrosion Protection by 4-Hydrocoumarin Derivatives: Insight from Density Functional Theory, Ab Initio, and Monte Carlo Simulation Studies | Abstract Full Text PDF |
| Saprizal Hadisaputra, Agus Abhi Purwoko, Saprini Hamdiani | ||
| Vol 24, No 5 (2024) | Novel Benzothiazole Derivatives: Synthesis, Anticancer Activity, Density Function Theory (DFT) Study, and ADMET Prediction | Abstract Full Text PDF Full Text PDF-Suppl. Data |
| Layla Jasim Abbas, Kawkab Ali Hussein | ||
| Vol 24, No 1 (2024) | Synthesis and Antibacterial Activity of Azomethine Ligand and Their Metal Complexes: A Combined Experimental and Theoretical Study | Abstract Full Text PDF Full Text PDF-Suppl. Data |
| Khalidah Hamil Manati Al Furaiji, Rehab Abdul Mahdi Al Hassani, Hanaa Hassan Hussein | ||
| Vol 23, No 6 (2023) | Synthesis, Thermal, DFT Calculations, HOMO-LUMO, MEP, and Molecular Docking Analysis of New Derivatives of Imidazolin-4-Ones | Abstract Full Text PDF Full Text PDF-Suppl. Data |
| Khedidja Merdja, Choukry Kamel Bendeddouche, Mokhtaria Drissi, Farah Chafika Kaouche, Nassima Medjahed, José Manuel Padrón, Mansour Debdab, Mustapha Rahmouni, El Habib Belarbi | ||
| Vol 25, No 6 (2025) | Synthesis, Characterization, Cyclic Voltammetry Survey, and Computational Investigation of a New Series of Organoselenium Derivatives Based on N-(4-Benzoylphenyl)-2-selenocyanatoacetamide | Abstract Full Text PDF Full Text PDF-Suppl. Data |
| Ahmed Mohammed Ismael Alsanafi, Nuha Hussain Al-Saadawy | ||
| Vol 22, No 1 (2022) | Density Functional Theory Study of Intermolecular Interactions between Amylum and Cellulose | Abstract Full Text PDF Full Text PDF-Suppl. Data |
| Raynardthan Pontoh, Vania Edita Rarisavitri, Christine Charen Yang, Maximilliam Febriand Putra, Daru Seto Bagus Anugrah | ||
| Vol 21, No 3 (2021) | Polarity Effect on the Electronic Structure of Molybdenum Dichalcogenides MoXY (X, Y = S, Se): A Computational Study Based on Density-Functional Theory | Abstract Full Text PDF |
| Salsabila Amanda Putri, Edi Suharyadi, Moh. Adhib Ulil Absor | ||
| Vol 21, No 3 (2021) | Solvatochromism and Theoretical Studies of Dicyanobis(phenylpyridine)iridium(III) Complex Using Density Functional Theory | Abstract Full Text PDF Full Text PDF-Suppl. Data |
| Noorshida Mohd Ali, Anthony J. H. M. Meijer, Michael D. Ward, Norlinda Daud, Norhayati Hashim, Illyas Md Isa | ||
| Vol 20, No 2 (2020) | DFT Study, POM Analyses and Molecular Docking of Novel Oxazaphosphinanes: Identification of Antifungal Pharmacophore Site | Abstract Full Text PDF |
| Khadidja Otmane Rachedi, Rania Bahadi, Mohamed Aissaoui, Taibi Ben Hadda, Billel Belhani, Abdeslem Bouzina, Malika Berredjem | ||
| Vol 20, No 3 (2020) | Theoretical Study on Molecular Structure and Electronic Properties of New 1,3-Diaza-adamantan-6-ones Derivatives | Abstract Full Text PDF |
| Haithem Abdulhasan, Ahmed Al-Yasari, Rahman Alasadi | ||
| Vol 12, No 3 (2012) | EXTRACTION OF STRONTIUM(II) BY CROWN ETHER: INSIGHTS FROM DENSITY FUNCTIONAL CALCULATION | Abstract Full Text PDF |
| Saprizal Hadisaputra, Harno Dwi Pranowo, Ria Armunanto | ||
| Vol 14, No 2 (2014) | Theoretical Study on the Extraction of Alkaline Earth Salts by 18-Crown-6: Roles of Counterions, Solvent Types and Extraction Temperatures | Abstract Full Text Pdf |
| Saprizal Hadisaputra, Lorenz R Canaval, Harno Dwi Pranowo, Ria Armunanto | ||
| Vol 25, No 1 (2025) | Sulfasalazine as a Corrosion Inhibitor on Carbon Steel Metal Surfaces in Acidic Media Using the Hydrogen Evolution Method: Experimental and Theoretical Studies | Abstract Full Text PDF |
| Hadi Thamer Obaid, Muthanna Mahmood Mutar, Safaa Hussein Ali | ||
| Vol 10, No 2 (2010) | EFFECT OF SCANDIUM ON HIDROGEN DISSOCIATION ENERGY AT MAGNESIUM SURFACE: AB INITIO DFT STUDY | Abstract Full Text PDF |
| I Wayan Sutapa, Ria Armunanto, Karna Wijaya | ||
| Vol 18, No 2 (2018) | Water Molecular Adsorption on the Low-Index Pt Surface: A Density Functional Study | Abstract Full Text PDF |
| Wahyu Tri Cahyanto, Aris Haryadi, Sunardi Sunardi, Abdul Basit, Yulin Elina | ||
| Vol 17, No 2 (2017) | Synthesis, Characterization and DFT Study of 4,4′-Oxydianiline Imines as Precursors of Tetrahalo-1,3-oxazepine-1,5-dione | Abstract Full Text PDF |
| Abdullah Hussein Kshash, Mohammed Ghannam Mokhlef | ||
| Vol 21, No 6 (2021) | Synthesis, Characterization and Theoretical Studies of New Organotellurium Compounds Based on (4-(((1S,E)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene)amino)phenyl)mercury(II) Chloride | Abstract Full Text PDF |
| Nuha Hussain Al-Saadawy | ||
| Vol 16, No 1 (2016) | Chalcone Based Colorimetric Sensor for Anions: Experimental and TD-DFT Study | Abstract Full Text PDF |
| Adita Silvia Fitriana, Harno Dwi Pranowo, Bambang Purwono | ||
| Vol 17, No 3 (2017) | Influence of Macrocyclic Ring Size on the Corrosion Inhibition Efficiency of Dibenzo Crown Ether: A Density Functional Study | Abstract Full Text PDF |
| Saprizal Hadisaputra, Saprini Hamdiani, Muhammad Arsyik Kurniawan, Nuryono Nuryono | ||
| Vol 17, No 3 (2017) | Determination of Effective Functional Monomer and Solvent for R(+)-Cathinone Imprinted Polymer Using Density Functional Theory and Molecular Dynamics Simulation Approaches | Abstract Full Text PDF |
| Andrian Saputra, Karna Wijaya, Ria Armunanto, Lisa Tania, Iqmal Tahir | ||
| 1 - 26 of 26 Items | ||
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Indonesian Journal of Chemistry (ISSN 1411-9420 /e-ISSN 2460-1578) - Chemistry Department, Universitas Gadjah Mada, Indonesia.