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Addressing Subtle Physicochemical Features Exhibited by Molecular Crystals Via Experimental and Theoretical Charge Density Analysis
(2018-06-19)
The thesis entitled “Addressing subtle physicochemical features exhibited by molecular crystals via Experimental and Theoretical Charge Density Analysis” consists of five chapters. An introductory note provides a brief ...
Structure and Dynamics of Macromolecular Solvation in Aqueous Binary Mixtures : From Polymers to Proteins
(2018-07-20)
The thesis presents detailed results of theoretical analyses based on extensive computer simulation studies with an aim to explore, quantify whenever possible, and understand structure and dynamics of polymers and proteins ...
Copper-Azides : Syntheses, Structures and Magnetic Behavior
(2018-07-09)
Extensive research work was carried out in past few decades to synthesize new compounds with extended structures by employing various organic linkers and metals. A large number of potential applications of these coordination ...
Third Generation Crystal Engineering : Supramolecular Synthons, IR Spectroscopy and Property Design
(2018-07-19)
Crystal engineering is defined as “the understanding of intermolecular interactions in the context of crystal packing and in the utilisation of such understanding in the design of new solids with desired physical and ...
Investigation of Dielectric and Magnetic Properties of Some Selected Transition Metal Oxide Systems
(2018-07-23)
High dielectric constant materials have tremendous impact on miniaturization of devices that are used in various applications like wireless communication systems, microelectronics, global positioning systems, etc. To store ...
Studies on Correlation between Microstructures and Electronic Properties of Organic Semiconductors
(2018-07-05)
The work carried out in this thesis systematically investigates the correlation between microstructures and electronic properties of organic semiconductors. The major directions that were pursued in this thesis are: (i) ...
Syntheses Structural Transformations, Magnetism, Ferroelectricity and Proton Conduction of Metal Organic Frameworks (MOF) Compounds
(2018-05-16)
The past few decades have witnessed an almost exponential increase in interest in the field of metal organic frameworks (MOFs), which can be evidenced from the large number of scientific articles being published routinely ...
Metal-Organic Framework (MOF) Compounds : Synthesis, Structure, Sensing and Catalytic Studies
(2018-06-29)
The metal-organic framework (MOF) compounds have witnessed rapid growth in the past decade and currently emerged as a highly unique area in the field of chemistry, materials science, and multiple branches of engineering. ...
Theoretical Investigation of OPTO-Electronic Processes in Organic Conjugated Systems Within Interacting Models : Exact Diagonalization and DMRG Studies
(2018-05-21)
The present thesis deals with a theoretical study of electronic structures in -conjugated molecular materials with focus on their application in organic elec-tronics. We also discuss a modified and efficient symmetrized ...
Design, Development and Applications R & D on Substrate-Integrated Lead-Carbon Hybrid Ultracapacitors
(2018-05-08)
Electrochemical capacitors or supercapacitors or ultracapacitors are potential energy storage devices that could help bringing major advances in future energy storage applications. Unlike batteries that store energy in ...