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Tuning crystal structures with weak interactions: From solid solutions to stoichiometric cocrystals
This thesis shows that when two organic compounds A and B are cocrystallized and the
A∙∙∙B interactions are neither completely isotropic nor anisotropic enough to cause the formation
of a stoichiometric cocrystal AxBy, ...
A Study of Dissipative Phenomena in Semiconductor Nanocrystals
Quantum dots (QDs) are semiconductor nanoparticles, where carriers are confined in regions smaller than a few tens of nanometers. The physics governing the behavior of these nano structures are fundamentally different from ...
From collective relaxation phenomena to phase separation in binary mixtures and some contributions to the hydration dynamics in the vicinity of biologically active molecules
The thesis presents detailed results of theoretical analyses based on extensive computer
simulation studies with an aim to explore, quantify whenever possible, and
understand the collective excitations, relaxation processes ...
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 ...
High-Resolution Charge Density Studies on Electronic Nature of Weak Interactions and Correlation of Molecular Conformation with Packing in Solid State
The thesis entitled “High-Resolution Charge Density Studies on Electronic Nature of
Weak Interactions and Correlation of Molecular Conformation with Packing in Solid
State” consist of five chapters. Chapter 1 is a brief ...
Protein Folding, Function and Aggregation Role of Co-solvents and Topological Frustration
Proteins are biological macromolecules formed by sequentially joining natural amino
acids through peptide bonds. The sequence of amino acids in a protein chain determines
its three dimensional structure under physiological ...
Interpretation of 2-Dimensional NMR spectra of small molecules
Nuclear Magnetic Resonance (NMR) spectroscopy has had an enormous effect in numerous areas of chemistry, biology, and medicine. Nuclear Magnetic Resonance (NMR) Spectroscopy is a unique analytical technique that permits ...
Enabling Lithium Metal Anode for Garnet Electrolyte based Solid State Batteries
Solid-state lithium metal batteries (SSLMB) employing inorganic solid electrolytes (ISE) in conjunction with lithium metal anode and intercalation cathode are considered among the most promising alternatives for Li-ion ...
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 ...
Protein-Nanomaterial Interactions: Structural And Dynamic Aspects
Owing to their unique properties, the noble metallic nanoparticles and graphenic nanomaterials find their applications in diverse fields of science. Particularly in the field of biomedicine, nanomaterials are being used ...