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Vol 1, No 1 (2010): March 2010 Theoretical and experimental studies on N-(6-methylpyridin-2-yl-carbamothioyl)biphenyl-4-carboxamide Abstract  PDF
Tuncay Yesilkaynak, Gun Binzet, Fatih Mehmet Emen, Ulrich Flörke, Nevzat Külcü, Hakan Arslan
 
Vol 2, No 1 (2011): March 2011 Structural and electronic effects of the C2’ substituent in 1,4–benzodiazepines Abstract  PDF
Lígia Rebelo Gomes, Luís Manuel Neves Belchior Faia Santos, José Beleza, John Nicolson Low
 
Vol 4, No 3 (2013): September 2013 Complexation of manganese(II), cobalt(II), nickel(II) and copper(II) by a ligand derived from 1,2,4-triazole: Potentiometric studies and Density Functional Theory calculations Abstract  PDF
Ouassini Benali Baitich, Nawel Lechani, Maamar Hamdi, Fahima Aklil, Samia Khabouche, Djaffar Kheffache, Sofiane Moussi, Ourida Ouamerali
 
Vol 1, No 3 (2010): September 2010 FT-IR, FT-Raman and ab-initio studies of 1,3-diphenyl thiourea Abstract  PDF
Chacko Yohannan Panicker, Hema Tresa Varghese, Abraham George, Puthenveettil Kandathil Varkey Thomas
 
Vol 8, No 1 (2017): March 2017 Density functional computational and X-ray studies on pharmaceutical compound 1-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-1H-indole Abstract  PDF
Zarife Sibel Şahin, Mine Yarım, Meriç Köksal
 
Vol 1, No 1 (2010): March 2010 Ab initio and density functional theory studies on vibrational spectra of 3-{[(4-methoxyphenyl)methylene]amino}-2-phenylquinazolin-4(3H)-one Abstract  PDF
Chacko Yohannan Panicker, Hema Tresa Varghese, Kalappat Raman Ambujakshan, Samuel Mathew, Subarna Ganguli, Ashis Kumar Nanda, Christian Van Alsenoy, Sheena Mary Yohannan
 
Vol 7, No 2 (2016): June 2016 Reaction paths and transition states of the C-C and C-H bond cleavage in the aromatic anthracene and phenanthrene molecules Abstract  PDF
Muthana Abduljabbar Shanshal, Muntadhar Abdulbary Al-Yassiri, Qhatan Adnan Yusof
 
Vol 6, No 3 (2015): September 2015 Reaction pathways and transition states of the C-C and C-H bond cleavage in the aromatic pyrene molecule - A Density Functional study Abstract  PDF
Muntadar Abd Al-Barri Hussain Al-Yassiri, Muthana Shanshal
 
Vol 5, No 2 (2014): June 2014 Ab initio calculations of 13C NMR chemical shielding in some N4O2, N4S2 and N6 Schiff base ligands containing piperazine moiety Abstract  PDF
Majid Rezaeivala, Sam Daftari
 
Vol 3, No 3 (2012): September 2012 Theoretical density functional study of gas-phase tautomerization and acidity of 5-methylhydantoin and its thio derivatives Abstract  PDF
Zaki Sulieman Safi
 
Vol 2, No 1 (2011): March 2011 Synthesis, FT-IR, FT-Raman and quantum chemical investigations of N-(3-methylphenyl)-2,2-dichloroacetamide Abstract  PDF
Velu Arjunan, Thiruvengadam Rani, Chithathoor Venugopal Mythili, Sriramulu Mohan
 
Vol 6, No 3 (2015): September 2015 Molecular structure, vibrational spectroscopic and HOMO/LUMO studies of some organotellurium compounds by quantum chemical investigations Abstract  PDF
Rafid Hmedan Al-Asadi, Bahjat Ali Saeed, Tarik Ali Fahad
 
Vol 4, No 1 (2013): March 2013 Synthesis and electronic properties of alkyl- and alkyloxy-curcuminoids Abstract  PDF
Tahseen Abed Al Qader Alsalim, Bahjat Ali Saeed, Rita Sabah Elias, Hanna Sabeeh Abbo, Salam Jaber Titinchi
 
Vol 2, No 4 (2011): December 2011 A DFT study for the structures and electronic spectra of 2,3-dihydropyridine-4-ones Abstract  PDF
Bahjat Ali Saeed, Rita Sabah Elias
 
Vol 2, No 2 (2011): June 2011 Synthesis and electrochemistry of dimanganese(II) complexes of phenol-based dinucleating ligands with four methoxyethyl chelating arms Abstract  PDF
Yuuki Nakayama, Kei Unoura, Yasuhiro Igarashi, Md. Jamil Hossain, Hiroshi Sakiyama
 
Vol 1, No 3 (2010): September 2010 On the Structure of Liquid Methyl Salicylate: the Role of Intramolecular Hydrogen Bonding Abstract  PDF
Santiago Aparicio, Rafael Alcalde
 
Vol 5, No 2 (2014): June 2014 Computational study and antimicrobial activity of few Dapsone Schiff base derivatives Abstract  PDF
Wasfi Abood Al-Masoudi, Tamadher Mohammad Al-Tememy, Rafid Hmedan Al-Assadi
 
1 - 17 of 17 Items

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ISSN: 2153-2257