Division of Chemical Sciences: Recent submissions
Now showing items 161-180 of 968
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Towards Electronic Scale Dynamics of Chemical Bonding in Isolated Molecules and Solvated Species
The chemical bonding in molecules and molecular clusters is determined by the nature of the electron density distribution between the atoms. Over the past century, different theories such as Lewis’s bond, valence-bond ... -
Shock tube experimental and advanced computational investigations on pyrolysis of cyclohexane derivatives and C2 + C2 reaction
My thesis involves studying the pyrolysis/thermal decomposition of cyclohexane derivatives (important constituents of conventional transportation fuel). From the literature as well as the composition analysis of two fuels ... -
C-H Bond Functionalization and Tandem Cyclization with Alkynoates and Maleimides Using Directing Group Strategy
The thesis presents manganese‒ and rhodium‒catalyzed C‒H bond activation and tandem cyclization reactions. These reactions lead to the construction of carbon‒carbon bonds using directing group strategy. The thesis is divided ... -
Single/double atom catalysts for electrochemical energy conversion and storage applications
Increasing energy demands along with environmental crises have motivated the extensive investigation of alternative high efficiency energy conversion and storage devices such as metal-air batteries, fuel cells and water ... -
Higher-Order Assembly of Protein Protected Gold Nanoclusters using Supramolecular Host-Guest Chemistry: A 40% Absolute Fluorescence Quantum Yield
For the last few decades, cancer has been one of the major public health concerns, and the mortality rate has become significant worldwide. However, because of the blessing of science, the early detection of tumors and the ... -
Analytical Results on Disorder effects on Polaritons and Barrier Crossing Problems
Disorder plays a significant role in the study of numerous fields of research in chemistry. Whether it is a more that 80 years old classic problem like Kramers’ escape rate or the current interest in polaritons, disorder ... -
Development of multifunctional polydimethylsiloxane-based polyurethanes as an ‘off-the-shelf’ alloplastic platform for urological reconstruction
Over 400 million patients suffer from urinary bladder-associated physiological disorders globally, which often necessitate surgical intervention for a reconstructive procedure. The current gold standard for bladder ... -
Shock Tube Investigation and Modeling of Dicyclopentadiene: Fundamental to Application
Dicyclopentadiene (DCPD), a homodimer of cyclopentadiene (C5H6) was chosen for the present study. DCPD can be obtained by dehydrogenation of JP-10 (jet propellant C10H16) which is currently used as aviation fuel. The ... -
Studies on Nanostructured Transition Metal Oxides and Related Composites for Supercapacitor Electrodes
Supercapacitors have acquired considerable scientific and technological position in energy storage field owing to their compelling power capability, good energy density, excellent cycling stability and ideal safety. ... -
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, ... -
Microwave-Assisted Growth of Laccase Mimetic Copper Oxide Nanozyme for Biosensing Applications
Natural enzymes are highly efficient macromolecular biocatalysts that can selectively catalyze biological reactions with high activity and substrate specificity under optimum conditions. However, natural enzymes suffer ... -
Role of spin density and interchromophoric coupling in singlet fission
Singlet exciton fission (SEF) is the transformation of a photoexcited singlet exciton into two triplets localized on two chromophores coupled together. This process therefore produces two triplet excitons at the expense ... -
Development of novel bionanocomposites for musculoskeletal reconstruction applications
With an increase in the aging population worldwide, a surge in demand for joint replacement has been observed. It has been anticipated that by 2030, the demand for primary total hip joint replacement (THR) will increase ... -
Theoretical investigation of H atom tunneling in Catecholate Monoanion: A combined time-independent and time-dependent quantum mechanical study
This thesis presents a combined time-independent and time-dependent quantum mechanical study of a system, Catecholate Monoanion (CM) for the study of H atom tunneling. It has an intramolecular H bond leading to a symmetric ... -
Theoretical Studies of Polymer Dynamics in Confined Spaces
The growing use of micro- and nano-fabricated devices to study complex biological processes has made it increasingly important to understand the effects of confinement on macromolecular behaviour. In this thesis, I will ... -
Quantum Phases and Magnetization Plateaus of Skewed Spin Ladders
This thesis deals with theoretical studies of skewed spin ladders which are two legged ladder with periodic slanted rung bonds and can be viewed as periodic fused rings with two different number of vertices. The spin at ... -
Imidazole and NHC-Carbene based Coordination Architectures and Their Applications
Modern-day chemistry demands novel molecular materials having aesthetically pleasing structures along with fascinating chemical and physical properties. New synthetic strategies have been applied for structural modulation ... -
Constructing transition metal-based heterostructure nanomaterials for electrocatalysis
Storing renewable energy into chemical bonds like hydrogen as a carbon-neutral energy carrier to deliver the energy demands is gaining attention. However, the popular hydrogen production route by water electrolysis involves ... -
Studies on BODIPY-conjugates of Copper and Zinc for Cellular Imaging and Photodynamic Therapy
Cancer is a dreadful disease that occurs due to the uncontrolled division of abnormal cells. Though there are different therapeutic modalities available for cancer, chemotherapy is considered as the most practiced method. ... -
Synthesis of Amyloidogenic Peptides and Endosomolytic Peptides for Functional and Intracellular Protein Delivery Studies.
Over the past few decades, peptide research gained lot of prominence due to their extensive usage in and across domains ranging from biomedical to bio-material science. This thesis deals with two different types of peptides ...