List of Articles Open Access Article Abstract Page Full-Text 1 - Photocatalytic Degradation of an Anionic Surfactant by Tio2 Nanoparticle under UV Radiation in Aqueous Solutions Zeinab Yaghoubi Bazkiaei Masoud Giahi Open Access Article Abstract Page Full-Text 2 - Electronic transport in Si and Au monoatomic chains considering strongly correlation effect, a first principle study Mansoureh Pashangpour Vahid Ghaffari Open Access Article Abstract Page Full-Text 3 - Ab initio study on the variation of stacking interactions of aniline and hydrated aniline systems Shruti Sharma Bipul Bezbaruah Open Access Article Abstract Page Full-Text 4 - Theoretical Structural and Spectral Analyses of TEMPO Radical Derivatives of Fullerene Fatih Ucun Serkan Kaya Halil Oturak Open Access Article Abstract Page Full-Text 5 - Theoretical study of tetrahedrane derivatives Mehdi Nabati Mehrdad Mahkam Yaser Gholizade Atani Open Access Article Abstract Page Full-Text 6 - Ab initio study of the structural, mechanical and thermal properties of (B, Al and Ga)-N nanotubes (4,0) Atefe Nejati Hasan Tashakori Faramarz Kanjouri Amirhosein Esmailian Open Access Article Abstract Page Full-Text 7 - DFT and HF Studies: Geometry, Hydrogen Bonding, Vibrational Frequencies and Electronic Properties of Enaminones and Their Complexes with Transition Metals Kazem Mahanpoor Majid Saghi Mohammad Hosein Bigtan Open Access Article Abstract Page Full-Text 8 - Synthesis of 1, 3-diaryl Substituted Iodobenzene Derivatives Farnaz Abolfazli- Khosroshahi Akbar Saeidniya Open Access Article Abstract Page Full-Text 9 - Presentation of the Soft-Core Double Yukawa Potential for Noble Gasses using in sillico Soheila Ghaderi Fariba Sadat Hashemi Ladan Mokhbersafa