Inorganic and Physical Chemistry (IPC): Recent submissions
Now showing items 41-60 of 314
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Nuclear quantum effects in gas-phase systems with large amplitude motions: A study of 2-fluoroethanol, ethylene glycol, and H3O2
This thesis explores the role of nuclear quantum effects in selected systems containing large amplitude motion through path integral simulations. Recent works have explored molecules with such floppy modes and examined ... -
Self-Assembled Hosts for Applications in Guest Binding and Catalysis
Living organisms can perform complex chemical reactions precisely in the confined pockets of enzymes. In this regard, numerous aesthetic 2D and 3D discrete architectures have been constructed using metal-ligand coordination ... -
Studies on Bodipy-platinum(Ii/Iv) Conjugates for Cellular Imaging and Photodynamic Therapy
Cancer emerges from the abnormal proliferation of aberrant cells. Amidst a multitude of treatment options, chemotherapy is widely used as a viable methodology. Despite its widespread use, it is encumbered with significant ... -
Synthesis and X-ray Crystallographic Studies of Salts, Co-crystals, Solvates of some Amine containing Active Pharmaceutical Ingredients and In-situ Cryo Crystallographic Studies on some Organic Liquids
Chapter I describes the general introductory note to describe the common terms like crystalline solids, properties, and their uses pharmaceutical industry. The definition of common terms like Salts, Co-crystal, solvates ... -
Structure and dynamics of quantum supercooled liquids:Insights from molecular dynamics simulations
Supercooled liquids are formed when a liquid is cooled below the melting temperature, avoiding crystallization. The system gets trapped in one of the many metastable states in the free energy surface. In supercooled state, ... -
Atto-second Dynamics in Molecular Systems
The thesis describes the attosecond dynamics of small molecular systems, focusing on ionization delay times and hole migration delay times. These time delays are some of the fastest events in electronic dynamics. When an ... -
Nanomaterials for Magnetism and Catalysis
Nanomaterials possess unique physical and chemical properties allowing for advancement and innovation in diverse scientific and technological fields. The remarkable magnetic and catalytic properties of these nanomaterials ... -
Orbital Engineering Directed Electronic Structure Studies: Design of Pseudo 𝜋 Aromatic Molecules, Borophenes and Borophites
The many ways of using three-membered rings as a design element in molecules and borophenes (2D sheets of boron) will be presented. The underlying design principles require constructing and manipulating molecular orbitals ... -
Studies on chalcopyrite phosphides and phenolic acid-based derivatives towards lithium storage and chemical sensors
Li-ion batteries are among the highly promising power sources for many emerging technologies, including electric vehicles and smart grids. However, an increased demand for energy density and long cycle life cannot be ... -
Room Temperature Phosphorescence and Circularly Polarized Luminescence Characteristics of Phosphine Oxides and Phosphoramides
Room temperature phosphorescence (RTP) materials have attracted much attention in recent years owing to their potential applications in organic light-emitting diodes (OLEDs), security writing, time-gated bio-imaging, ... -
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 ... -
Interfacial Studies Using Organized Organic and Inorganic Films
Interfaces play an important role in various fields, such as catalysis, charge transfer / electrochemical processes, chemical reactions, molecular electronics, wetting, and biology. Building functional structures with a ... -
Binding, activation, and oxidative addition of dihydrogen using Ir-pincer systems and implications in hydrogenation catalysis
Binding of unreactive small molecules, such as H2, N2, CO2, CH4, etc. on a transition metal center and their subsequent activation are fundamental problems that have been extensively studied in organometallic chemistry for ... -
Chemistry of bimetallic, chalcogenide and highly reactive metal nanoparticles
The remarkable modifications in the characteristics of materials on a nanoscale, caused by surface effects, quantum confinement, and dependence on shape, leads to diverse applications of nanomaterials, such as in catalysis, ... -
Self-Assembled Coordination Architectures for Fluorescence Modulation, Photocatalysis, and Light Harvesting
Self-assembly and noncovalent interactions play a pivotal role in the design of complex, and intricate functional structures. Among several design approaches, metal-ligand coordinationdriven self-assembly has emerged as ... -
Isoform Specific Synthetic Glutathione Peroxidase Mimetics in Redox Regulation of Cell Death and Diseases
Reactive oxygen species (ROS)-induced oxidative stress has been implicated in various pathologies and cell death processes. Cells have antioxidant systems to neutralize the harmful effects of excess ROS. Glutathione ... -
Excited State Intramolecular Charge Transfer: Ultrafast Electronic and Vibrational Spectroscopic Study
This thesis incorporates the understanding of the ultrafast excited state photoinduced intramolecular charge transfer (ICT) process in liquid phase. The molecular systems are studied by employing Ultrafast Raman Loss ... -
Development and Applications of Portable Raman Spectroscopy Combined with Artificial Intelligence for Biomedicine
Currently, the global spectroscopic community is investigating the suitability of vibrational spectroscopy methods for point-of-care testing, histopathology, and rapid in-vivo biomedical diagnostics. Although Raman ... -
Identifying Bacterial Species, Detecting Antibiotic Resistance and Susceptibilities in Clinical Samples Using Raman Spectroscopy
Over the past few decades, Raman spectroscopy has found enormous applications in biology and medicine. Raman micro-spectroscopy is highly sensitive to the structure and composition of molecules and their surrounding moieties ... -
B, N containing π- conjugated systems: room temperature phosphorescence, fullerene complexation, and cell differentiation
Advances in heteroatom (B, N, and B-N) incorporated π-conjugated systems have attracted considerable attention because of their desirable properties and widespread applications. Substitution of isoelectronic B–N units for ...