Browsing Division of Chemical Sciences by Title
Now showing items 356-375 of 1480
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An Exploration of Molecular Recognition Mechanisms and Ligand Induced Transitions in Biomolecules
Molecular recognition refers to processes through which biological macromolecules interact with each other or other small molecules through noncovalent interactions to form specific complexes. Applying molecular recognition ... -
Exploration of Oxides and Polyanionic Cathodes for Zn-ion and Zn-air Batteries
Lithium-ion batteries (LIBs) rule the modern consumer electronics and electric vehicle sectors. However, their high production costs, safety risks from flammable electrolytes, and paucity of lithium resources have spurred ... -
Exploration of Ti-based Anodes for Rechargeable Alkali-ion Batteries And Hybrid-ion Capacitors
From 600 B.C. till 1700 A.D., electricity remained the least understood form of energy and was considered "Magical." In the 18th century A.D., the electricity that mysteriously struck Franklin as he arduously flew a kite ... -
Exploring Diverse Facets of Small Molecules by NMR Spectroscopy
(2017-12-07)The thesis entitled “Exploring Diverse Facets of Small Molecules by NMR Spectroscopy” consists of six chapters. The main theme of the thesis is to exploit one and two dimensional NMR methodologies for understanding the ... -
Exploring Hyperbranched Polymers as Multifunctional Scaffolds
Hyperbranched polymers (HBPs) are highly branched macromolecules that exhibit excellent solubility, low melt viscosity, and they possess a multitude of modifiable peripheral functional groups.1 Unlike their structurally ... -
Exploring Intermolecular Space By Charge Density Analysis In Molecular Crystals
(2013-06-21)The thesis entitled “Exploring Intermolecular Space by Charge Density Analysis in Molecular Crystals” consists of five chapters. A short introductory note highlights the importance of intermolecular interactions and presents ... -
Exploring New Designs of Amphiphilic Graft Copolymers and Forays into 2D Polymers
Amphiphilic polymers, wherein two or more immiscible polymeric segments are connected covalently, form an interesting class of macromolecules that can self-assemble in block selective solvents as well as in bulk, to exhibit ... -
Exploring Scalable Material Strategies Towards the Practical Metal-Sulfur Batteries
Lithium-ion batteries (LIBs) dominate the market of portable electronic devices and currently serve as the stand-alone power source for electric vehicles. LiBs are approaching their theoretical energy density limit, ... -
Exploring Single-Chain Collapse Transition in Periodically Grafted Amphiphilic Polymers
Synthetic polymers that emulate the complexity and responsiveness of biological macromolecules are at the forefront of modern materials research. One challenge in this field is to design polymer systems that can fold or ... -
Exploring Structure and Reactions : Computational Studies on Three-Membered Rings, Metal-Boron Multiple Bonds and Biradical Reactions
(2018-04-06)The utility of computational study lies not only in rationalizing a chemical phenomenon but also in its predictive value. Broadly, the scope of my research work includes understanding of the structure and bonding of molecules ... -
Exploring the Redox Processes and the Associated Chemical Reactions in Next Generation Rechargeable Li-O2 Batteries
The exceptionally high specific energy of Li-O2 rechargeable batteries makes them promising as a next-generation energy storage technology, beyond the conventional intercalation battery systems such as the lithium-ion ... -
Exploring Topological Phases of Matter using Density Functional Theory and Machine Learning Approaches
Topological phases of matter such as topological insulator (TI), quantum anomalous Hall insulator (QAHI), nodal line semimetal (NLSM), and triple point metal (TPM) can be realized by manipulating the spin-orbit coupling ... -
Exploring Topological Semimetallic Phases of Matter through First-Principles Calculations
In recent years, the study of topological phases of matter have received immense interest. Following the discovery of topological insulators, topological band theory has been extended to topological semimetals, characterized ... -
Exploring Transition Metal Oxides Towards Development of New Functional Materials : Lithium-ion Battery Cathodes, Inorganic Pigments And Frustrated Magnetic Perovskite Oxides
(2017-10-11)Transition metals (TMs) are ‘elements whose atoms have partially filled d-shell, or which can give rise to cations with an incomplete d-shell’. In TMs, the d-shell overlaps with next higher s-shell. Most of the TMs exhibit ... -
Extending Aryne Chemistry: Application to Insertion Reactions, Multicomponent Couplings, Molecular Rearrangements and Arylation Reactions
Arynes are highly reactive electrophilic intermediates, which can be utilized in various carbon-carbon bond-forming reactions including pericyclic reactions, insertion reactions, multicomponent couplings (MCCs), molecular ... -
Extensions of mode coupling theory to study diffusion and viscosity and applications to chemical dynamics
In this chapter, the existing mode coupling theory [14] has been extended to calculate the diffusion of a tagged molecule and to study the dynamics of a neat liquid. It has been shown that in the earlier theory the definition ... -
Fabrication, micro-computed tomography based quantitative 3D microstructure evaluation of 3D printed bioceramic scaffolds and FE modelling of biomedical implant prototypes
In summary, this thesis provides the following outcomes: a) Formulation of novel powder-binder combination for 3D powder printing of resorbable bone-tissue scaffold. b) The effect of post-processing approach on the macro ... -
Facile routes to substituted DI-and triformylbenzenes (part-I). synthesis of pterosin M and Onitin (part- II).
The thesis, dealing with two topics in two parts, is entitled "Facile Routes to Substituted Di- and Triformylbenzenes (Part I). Synthesis of Pterosin M and Onitin (Part II)". The first part, consisting of five chapters, ...