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Chemistry of carbonized metallic nanomaterials
Magnetic nanomaterials have received significant attention because of their remarkable
properties enabling applications in various fields such as catalysis, as contrast agents for
magnetic resonance imaging, in sensing ...
Design and Application of Self-Assembled Coordination Cages for Catalysis and as Drug Carrier
In summary the present thesis accounts for the design and synthesis of various coordination cages
formed through the self-assembly reaction of the newly designed pyridine and pyrimidine based
ligands with various 90° ...
The Structural Chemistry of Boron, Borospherenes and Borophenes: A Computational Study
Structural complexity is one of the characteristics of boron chemistry. The 3D solids formed from icosahedral B12 units is thought of as most favorable arrangement for boron allotropes. However, recent discoveries in this ...
Blue and Red Shifting H-Bonding in X−H···Y(X=C, O: Y = O, N, S) Complexes: A Gas Phase FTIR and ab initio Study
Regular H-bonding is essential for sustenance of many chemical and biochemical processes and has been investigated thoroughly since its discovery in the 1920’s. However, experimental finding of blue shifting of X-H stretching ...
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 ...
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 ...
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. ...
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 ...
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 ...
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 ...

