Volume 13, Issue 1
مرور بر اساس
ارسال های اخیر
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DFT and HF Studies: Geometry, Hydrogen Bonding, Vibrational Frequencies and Electronic Properties of Enaminones and Their Complexes with Transition Metals
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2016-06-01)Enaminones are those structures made up three various functional groups including carbonyl, alkeneand amine groups which arelocated along with each other in a conjugate fashion. These compoundsare of much ...
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Synthesis of 1, 3-diaryl Substituted Iodobenzene Derivatives
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2016-06-01)The synthesis and characterization a new derivatives of 2'-iodo-meta terphenyl from the reaction ofexcess aryl-Grignard and 2, 6- dichloroiodobenzene with quenching of m-terphenyl-2'-magnesiumbromide by iodine ...
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Presentation of the Soft-Core Double Yukawa Potential for Noble Gasses using in sillico
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2016-06-01)The understanding of the intermolecular pair potential is important for determining the physical andchemical properties of the matter. The new data for noble gasses was calculated with Soft-CoreDouble Yukawa ...
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Electronic transport in Si and Au monoatomic chains considering strongly correlation effect, a first principle study
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2016-06-01)We have investigated structure and electronic properties of Au and Si liner chains using the firstprinciplesplane wave pseudopotential method. The transport properties and conductance of these twoliner chains ...
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Photocatalytic Degradation of an Anionic Surfactant by Tio2 Nanoparticle under UV Radiation in Aqueous Solutions
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2016-06-01)In this paper the photocatalytic degradation of the anionic surfactant, linear alkylbenzene sulfonicacid (LABSA) was investigated using UV radiation in the presence of TiO2. Our findingsdemonstrate that various ...
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Theoretical Structural and Spectral Analyses of TEMPO Radical Derivatives of Fullerene
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2016-06-01)The spectroscopic properties of the 2,2,6,6-tetramethyl-piperidine-1-oxyl (TEMPO) radicalderivatives of the fullerene (C60) were theoretically investigated. The ground state optimizedstructures of the radical ...
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Theoretical study of tetrahedrane derivatives
(Tehran, Islamic Azad University of Iran, Science and Research Branch, 2016-06-01)Tetrahedrane is most strained and the smallest cage compound. It attracts organic chemists because ofits unusual bonding nature and highly symmetrical structure. However, many efforts to isolate theparent ...
