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 ...

The thesis entitled “Structure-function control in organic co-crystals/salts via studies on polymorphism, phase transitions and stoichiometric variants” consists of five chapters. The main emphasis of the thesis is on ...

The understanding of self-assembly processes is important for fabrication of well-defined structures with new functionalities for applications in the area of biomedical sciences, material sciences and electronics. In this ...

Electronic and optical properties of semiconducting nanocrystals, that can be engineered and manipulated by various ways like varying size, shape, composition, structure, has been a subject of intense research for more ...

The thesis entitled “Unravelling the Nature of Halogen and Chalcogen Intermolecular Interactions by Charge Density Analysis" consists of five chapters. A basic introductory section describes the topics relevant to the work ...

This thesis reports a passive method for Fermi level regulation in quantum dot assemblies through ground state transfer between QDs. Here, ZnTe/CdS, and PbSe/CdSe core/shell QDs were used as valence band electron donors, ...

The thesis entitled "Pushing the Limits of NMR Sensitivity and Chiral Analysis: Design of New NMR Methods and Bio-molecular Tools" consists of six chapters. The research work reported in this thesis is focused on the ...

The work described in this thesis involves the study of weak interactions by NMR spectroscopy and using them to develop novel applications. The two different applications chosen are i) using molecular interactions for ...

Maleimide based highly luminescent material Cbz-MI with donor acceptor donor (D-A-D) backbone has been synthesized and characterized. An organic light emitting diode fabricated using this material as emitting layer exhibited ...

The thesis entitled “Local structure-property relationship in some selected Solid State Materials” mainly focuses on two fundamental topics: (a) evaluation of some standard global structural concepts in terms of local ...