Browsing by Subject "Ab initio calculations"
Now showing items 1-4 of 4
-
Article
Analysis of depolarization ratios of ClNO2 dissolved in methanol
(2014)A detailed analysis of the resonance Raman depolarization ratio dispersion curve for the N-O symmetric stretch of nitryl chloride in methanol at excitation wavelengths spanning the D absorption band is presented. The ...
-
Article
Layered atomic structures of double oxides for low shear strength at high temperatures
(2010)Double oxide phases combining a transition metal and a noble metal have recently become a subject of investigation as solid lubricant materials for high-temperature tribological applications. Here, we study the changes in ...
-
Article
New type dithiolene complex based on 4,5-(1,4-dioxane-2,3-diyldithio)-1,3-dithiol ligand: Synthesis, experimental and theoretical investigation
(2009)A new Nickel complex with an extended multisulfur dithiolene ligand Ni(edodddt)2 (edodddt = 2,3,4α,8α-tetrahydro-dithiine [2,3-b] [1,4] dioxo-6,7-dithiolene) has been synthesized and characterized by electrochemical ...
-
Article
Spectral studies of new organic conductor (ETOEDT-PDT-TTF)2I3: Normal mode vibrations of the unsymmetrical π-electron donor
(2008)New donor-acceptor (ETOEDT-PDT-TTF)2I3 salt showing the layered structure was synthesized and spectrally characterized. It was shown that unsymmetrical (1,4-thioxane-2,3-diyldithio)-propylenedithiotetrathiafulvalene ...