Browsing Division of Chemical Sciences by thesis submitted date"2024"
Now showing items 1-7 of 7
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From Multidimensional non-Markovian Rate Theory to Diffusion-Entropy Scaling and Investigations into the validity of Hydrodynamic Stokes Law
Multidimensional rate theory provides a theoretical framework for understanding chemical reactions that occur in systems with more than one reaction coordinate, such as isomerization reactions, protein folding, or electron ... -
Functionalized Low-Dimensional Nanomaterials in Antibacterial Activity and Drug Delivery
The rise in multi-drug-resistant bacterial infections is a major health concern of the 21st-century. Overuse of traditional antibiotics in medical, agricultural, and veterinary practices has led to numerous drug-resistant ... -
Insights into Structure-Property Relationships via First Principles and Machine Learning Approaches
The increasing concerns about a sustainable future demand accelerated design and development of new materials with enhanced properties. The process of material development immensely depends on the structure-to-property ... -
Low-Symmetric Water-Soluble Molecular Hosts for Molecular Separation and Optical Modulation
Nature employs the strategy of self-assembly in a remarkable way at every scale to construct numerous functional architectures. Various noncovalent interactions, such as hydrogen bonding, 𝜋-𝜋 stacking, and electrostatic ... -
Microwave Spectroscopic and Computational Studies on Hydrogen-Bonded Complexes
Hydrogen bonding and van der Waals interactions are key contributors to numerous biological phenomena and have significant implications in synthetic chemistry as well. In supramolecular chemistry and crystal engineering, ... -
On the Origin of Parasitic (Electro)Chemistry in Rechargeable Aprotic Metal-Oxygen Batteries
Aprotic metal-oxygen batteries, especially Li-O2 and Na-O2 batteries, could afford theoretical specific energies in excess of 1000 Wh/kg. However, the practical realization of the theoretically possible high specific ... -
Studies on Iron and Cobalt Complexes for Cellular Imaging and Photodynamic Therapy
Redox-active transition metal-based prodrug complexes hold great promise as drug delivery systems (DDS) to circumvent drug related toxicity and enhance the overall efficacy of the cytotoxic agents. In this context, ...