Browsing Solid State and Structural Chemistry Unit (SSCU) by Subject "Theoretical Chemistry"
Now showing items 1-11 of 11
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Analysis Of Intermolecular Interactions In Pharmaceutical Salts And Cocrystals
(2013-07-17)The studies on cocrystals and salts presented in the the chapters clearly bring out the influence of intermolecular interactions as the main evaluators of the cocrystal-salt regime. The observations made in Chapter 2 ... -
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 ... -
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 ... -
Investigations Of Open–framework Structures Based On Main Group, Transition Metal And Actinide Elements
(2013-02-07)Open–framework inorganic materials are an important class of compounds because of their many applications in the areas of ion–exchange, separation and catalysis. Ever since the discovery of microporous aluminophosphates ... -
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 ... -
Stimuli Responsive Multilayer Thin Films And Microcapsules Of Polymers Via Layer-By-Layer Self-Assembly
(2013-06-03)The present thesis focuses on the selection of polymers and methods to fabricate stable and stimuli responsive multilayer self-assembly via layer-by-layer (LbL) approach. The polymers utilized in this study are biodegradable ... -
Structure, Organization And Phase Transitions In Anchored Alkyl Chain Bilayers In Layered Organic-Inorganic Hybrids
(2009-04-09)This thesis deals with the conformation and phase-transitions in anchored alkyl chain bilayer assemblies in organic-inorganic hybrids. The alkyl chain bilayers in organic-inorganic hybrids bear a striking resemblances to ... -
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 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 ...