Solid State and Structural Chemistry Unit (SSCU): Recent submissions
Now showing items 161-180 of 206
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Intermolecular Interactions In Molecular Crystals : Quantitative Estimates From Experimental And Theoretical Charge Densities
(2011-10-03)The thesis entitled “Intermolecular Interactions in Molecular Crystals: Quantitative Estimates from Experimental and Theoretical Charge Densities” consists of four chapters and an Appendix. Chapter 1 highlights the principles ... -
Studies On Advanced Lead-Acid Batteries
(2011-09-30)Subsequent to the studies on precursor lead-acid systems by Daniel, Grove and Sindesten, practical lead-acid batteries began with the research and inventions of Raymond Gaston Planté in France as early as in 1859, and, ... -
Disorder, Polymorphism And Co-Crystal Formation In Molecular Crystals : An In-Depth Study In Terms Of Weak Intra- And Intermolecular Interactions
(2011-09-21)Three distinct aspects, disorder, polymorphism and co-crystal formation have been addressed in molecular crystals in terms of intra- and intermolecular interactions involving halogens, weak hydrogen bonds and van der Waals ... -
Theoretical Studies Of Electronic Properties And Electronic Processes In Conjugated Molecules
(2011-07-08)This thesis deals with theoretical studies of electronic properties of organic conjugated molecules. The first chapter introduces different classes of organic conjugated molecules which possess high hole mobility, large ... -
Novel Synthesis Of Transition Metal And Nobel Metal Ion Substituted CeO2 And TiO2 Nanocrystallites For Hydrogen Generation And Electro-Chemical Applications
(2011-06-30)Ceria based materials have attracted a great deal of interest particularly in area of UV shielding, oxide ion conductivity, solid state electrolyte for fuel cells, automotive exhaust catalysis, water gas shift (WGS) reaction ... -
Computer Simulation Studies Of Phase Transition In Soft-Condensed Matter : Isotropic-Nematic, Gas-Liquid, And Polymer Collapse
(2011-03-16)The present thesis reports computer simulation studies of several phase transition related phenomena in a range of soft-condensed matter systems. A coherent unifying theme of the thesis is the understanding of dynamics of ... -
Studies On Nanostructured Transition Metal Oxides For Lithium-ion Batteries And Supercapacitoris
(2011-01-21)Rechargeable Li-ion batteries and supercapacitors are the most promising electrochemical energy storage devices in terms of energy density and power density, respectively. Recently, nanostructured materials have gained ... -
Investigation Of Transition Metal Oxides Of Perovskite, Pyrochlore And Rutile Structures Towards Realization Of Novel Materials
(2011-01-21)Materials chemistry is essentially concerned with the design/synthesis of new solids endowed with functional properties that could be of relevance to today’s materials technology. Among the large variety of solid materials ... -
Synthesis, Structure And Photocatalysis Of Orthovanadates, Novel Approaches For The Crystallization Of Anhydrous Nucleobases And Ab Initio Structure Determination Of A Drug Intermediate From Powder X-ray Diffraction Data
(2010-10-13)The thesis begins with a brief introduction and relevant literature references. The novelty of synthesis, methodology and results of the work reported in the thesis and highlighted subsequently. The thesis consist of three ... -
Theoretical Approaches For Modelling Molecular Magnetism
(2010-10-05)In this thesis we have developed electronic and spin model Hamiltonians to understand magnetism in molecule based magnets like photomagnets, high-nuclearity transition metal complexes and single molecule magnets. In ...