Browsing Division of Chemical Sciences by Subject "Research Subject Categories::NATURAL SCIENCES::Chemistry::Inorganic chemistry"
Now showing items 41-46 of 46
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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 ... -
Theoretical Studies on Excited-State Photodynamics: N-H Dissociation in Aniline and Intermolecular H atom Transfer in the 2-Amino Pyridine Dimer
DNA is composed of light-absorbing molecular units like adenine, guanine, thymine, cytosine, etc. It is well-known that DNA as a whole is photostable upon exposure to sunlight. The photostability of biomolecules suggests ... -
Thermodynamics of Protein Adsorption on Gold and Carbonaceous Nanoparticles Probed by Second Harmonic Light Scattering
Over the past two decades, interaction of small molecules, peptides, and proteins with nanoparticles of various shapes and size have been keenly pursued for two reasons: to find application of these nanoparticle-molecule ... -
Thermodynamics of Protein Adsorption on Gold and Silica Nanoparticles
Nanoparticle-based biomedical applications in disease diagnostics, site targeting, drug delivery, etc., have been pursued vigorously with the hope of finding better solutions than conventional diagnostics and therapeutics. ... -
Zeolitic Imidazolate Framework (ZIF-8) Supported Nanoparticles: Synthesis and Applications
Nanoparticles have gained great interest in various fundamental and applied areas of science and technology due to their tunable size dependent properties which is not achievable by their bulk counterparts. Nanoparticles ...