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Keyword [Density Functional Theory(DFT)]
Result: 141 - 160 | Page: 8 of 10
141. Theoretical Studies On The Performance Of Rhenium Complexes As Dye Sensitizer
142. Study On Improving Accuracy Of Quantum Chemical Calculations For Non-covalent Interactions Based On Neural Networks
143. DFT Study On The Mechanisms Of Several Amination Reactions Catalyzed By Gold And Copper
144. The Study Of Electrochemiluminescencce Of Ionic Iridium Complexes
145. Structural Stability, Band Gap Tunability Of Single-Side Hydrogenated Graphene And Functionalization Of The Edge Of MoS2 Nanoribbons From First-Principles Calculations
146. QSAR Studies Of Bioactivity Of Quinoline And Isothiazolone Derivatives
147. Theoretical Study On A Seriers Of Crown Ethers Metal Complexes And Molecular Switch
148. Study Of Theoretical Calculation Of Ethylene Dimerization Reaction On Ga(Al)/HZSM-5 Zeolite
149. Preparation Of Doped TiO2 And Theoretical Studies By Density Functional Theory (DFT)
150. Theoretical Study On A Seriers Of Cyclodextrins Compounds Interctions Between Host And Guest
151. A Study For Structure And Properties Of OsnN0, ± (n=1-6) Clusters
152. Theoretical Study Of Electronic Structures And Redox Properties Of Polyoxovanadates
153. Magnetism And Electronic Structure Of Transition Metal-Polyene Ring Sandwich Molecular Wires (SMWs)
154. The Theoretical Study Of Michael Addition
155. Structures, Properties And Role Of Anion Effect Of Azolylterpyridine Complexes With Two-photon Absorption
156. Raman Spectroscopy Study Of Cyclobutane Pyrimidine Dimmer
157. Relativistic Quantum Chemical Studies For Excited States And Thermodynamic Properties Of Uranium Compounds
158. Density Functional Theory For Polyelectrolyte Adsorption On Uniformly Charged Planar Surface
159. Theoretical Investigations On The Chemical Stability, Electronic Structure And Optical Property Of Non-IPR Fullerene (<C70 ) And Their Derivatives
160. Theoretical Study Of The Nolinear Optical Properties Of Gold Complexes
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