Investigation of Nickle nanoclusters properties by density functional theory Journal title: International Journal of new Chemistry Authors: Aram Ghaempanah; Darioush Sharafie Subject(s): Chemistry
EXPERIMENTAL AND QUANTUM CHEMICAL INVESTIGATION OF NEW ELECTROLUMINESCENT MATERIAL BASED ON THIOPHENE, PHENYLENE AND ANTRACENE Journal title: Analele Universitatii din Bucuresti. Chimie Authors: M. Bouachrine, O. Benaqqa, H. Toufik, J.-P. Lère-Porte, F. Serein-Spirau, A. Amine Subject(s):
Molecular Structure, NMR, FMO, MEP and NBO Analysis of ethyl-(Z)-3-phenyl-2-(5-phenyl-2H-1,2,3,4-tetraazol-2-yl)-2-propenoate Based on HF and DFT Calculations Journal title: Chemical Methodologies Authors: Prof. Dr. Ali Ramazani, Masoome Sheikhi, Hooriye Yahyaei Subject(s):
Synthesis, spectroscopic (NMR and FT-IR) and theoretical (HF and DFT) investigation of dimethyl (Z)-2-[(2-methyl-5-oxo-1-cyclopentyl)oxy]-2-butendioate Journal title: Iranian Chemical Communication Authors: Prof. Dr. Ali Ramazani, Masoome Sheikhi, Ali Souldozi, Sang Woo Joo, Hooriye Yahyaei Subject(s): Chemistry
THEORETICAL STUDIES OF ELECTRONIC AND OPTICAL PROPERTIES FOR SOME NEW AZO DISPERSE DYES FOR DYE-SENSITIZED SOLAR CELLS BY USING TD AND TD DFT METHOD. Journal title: International Journal of Advanced Research (IJAR) Authors: Isaac Onoka, Numbury Surendra Babu, John J. Makangara. Subject(s):
Structural and Solvent Dependence of the Electronic Properties and Corrosion Inhibitive Potentials of 1,3,4-thiadiazole and Its Substituted Derivatives- A Theoretical Investigation Journal title: Physical Science International Journal Authors: O. E. Oyeneyin Subject(s):
Van der Waals corrected DFT study on the adsorption behaviors of TiO2 anatase nanoparticles as potential molecule sensor for thiophene detection Journal title: Journal of Water and Environmental Nanotechnology Authors: Subject(s):
On the Mn-In-Ni Diatoms: Electronic Properties Depending on Spin Multiplicity Journal title: International Journal of engineering Research and Applications Authors: Aslı Öztürk Kiraz, Halit Kan, Nuri Kolsuz, Şakir Erkoç Subject(s):
New Organic Compounds Based on Biphenyl for Photovoltaic Devices: DFT Theoretical Investigation Journal title: Chemical Methodologies Authors: Wafae Saidi, Tayeb Abram, Lahcen Bejjit, Mohammed Bouachrine Subject(s):
Investigation of Adsorption of the Nitrosamine Molecule as a Carcinogen Agent on the AlN Nanotubes: A DFT Study Journal title: Chemical Methodologies Authors: Batoul Makiabadi, Mohammad Zakarianezhad Subject(s):
Band Gap Engineering of Wurtzite Silicon by Uniaxial Pressure Journal title: International Journal of Innovative Research in Computer Science and Technology Authors: Ziwei Cui Subject(s): Electrical and Electronic Engineering, Chemical Engineering, Civil Engineering, Computer Science, Artificial Intelligence, Computer Science, Information Systems, Computer Science, Interdisciplinary Applications, Engineering, Multidisciplinary, Engineering, Civil, Computer Science, Cybernetics, Computer Science, Theory & Methods, Computer Science, Software Engineering
