Now showing items 1-20 of 206
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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 ... -
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 ... -
Applications Of Multiple Quantum Methods In NMR For Determination Of Dipolar Couplings And Chiral Discrimination
(2013-02-20)This thesis is about excitation, detection, properties and applications of multiple quantum coherences applied to different dipolar coupled spin systems. Major focus of the work is on spectral simplification, measurement ... -
Building Upon Supramolecular Synthons : Some Aspects of Crystal Engineering
(2018-04-24)Crystal engineering offers a rational way of analyzing crystal structures and designing new structures with properties. The supramolecular synthon concept was introduced in 1995 and has shown versatility and utility in the ... -
Co-solvent Induced Protein Collapse and Folding
An unfolded protein under favorable conditions navigates its complex energy landscape on a time scale of milliseconds to seconds and folds into a specific three dimensional structure. The mechanism of protein folding is ... -
Cocrystallization Studies Extending from Small Molecules to Proteins: a) Cocrystals, Salts and Eutectics, b) Chemical, Structural and Biological Evaluation of Anthrapyrazolones as Inhibitors of JNK proteins
In summary, we have designed and synthesized three halogenated derivatives of 1,9- pyrazoloanthrone. The involvement of halogen bonding provides highly directional interactions in the binding pocket and hence demonstrates ... -
Computational Studies of Hydrophobic Force Law, Dynamics in Model Asymmetric Binary Mixtures, and Contribution to One and Two Dimensional Infrared Spectroscopy
Depending on the system and phenomena of interest, the thesis has been partitioned into three major parts. The first part is on the theoretical infrared spectroscopic studies and vibrational phase relaxation of supercritical ... -
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 ... -
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 ... -
Crystal Engineering : From Molecule To Crystal Structure Landscape
(2017-08-21)Crystal engineering underlies the essence of natural affiliation between the molecule on the one side and the crystal as a supramolecular assembly on the other. Molecular recognition is the fundamental cause for this ... -
The Crystal Form Diversity From Cocrystals To Eutectics: Design, Synthesis, Production And Property Evaluation
This thesis aims to design and synthesize organic molecules to generate properties like SHG, ferroelectric and dielectric. In continuation, we have done cocrystallization studies to study the trend in between the two ... -
Design And Synthesis Of Donor-Acceptor (D-A) Organic Semiconductors : Applications In Field Effect Transistors And Photovoltaics
(2015-07-16)The present thesis is focused on rational design and synthesis of π-conjugated donor-acceptor (D-A) type oligomers and polymers. It is organized in six different chapters and a brief discussion on the content of the ... -
Design of Electroactive Materials and Mechanistic Investigations of Metal (Li, Na, Mg)-Sulfur Batteries
The thesis entitled “Design of Electroactive Materials and Mechanistic Investigations of Metal (Li, Na, Mg)-Sulfur Batteries’’ deliberates on some of the important issues impeding the progress of metal sulfur battery (Li/S, ... -
Design of Novel Protocols for Chiral Analysis and Exploring Hydrogen Bond Directed Conformations
The research work reported in this thesis is focused on the chiral analysis and exploring hydrogen bonding. In chiral analysis, the study is aimed at the introduction of new versatile chiral solvating agents (CSA) and also ... -
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 ... -
Design, Synthesis and Characterization of Novel Nanomaterials
(2018-02-25)The present thesis entitled “Design, Synthesis and Characterization of Novel Nanomaterials” is divided into five chapters, staring with a general introduction. The remaining chapters focus on four different areas/projects ... -
Development of Novel NMR Methodology and Investigation of Challenging Chemical Problems
The thesis is entitled as "Development of Novel NMR Methodology and Investigation of Challenging Chemical Problems ". The research work reported in this thesis is mainly carried out in two directions. The initial focus ... -
Development Of Two Dimensional Correlation And Resolved Methodologies For NMR Spectroscopic Discrimination Of Enantiomers
(2013-01-22)The research work reported in this thesis deals with the development of novel NMR experimental techniques for the spectroscopic discrimination of enantiomers dissolved in a chiral liquid crystalline medium. The information ... -
Diffusion In Porous Solids : Void Disorder, Orientation And Rotation, Reaction And Separation, And Levitation Effect
(Indian Institute of Science, 2006-12-12)Diffusion in bulk has been well studied and our understanding may be said to be adequate if not complete. Similarly, surface diffusion has been investigated by a number of workers and a fair understanding of it has emerged. ...