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Studies on Quinoidal Diketopyrrolopyrrole Derivatives and their Applications
Quinoidal π-conjugated molecules have endowed significant attention over the years especially due to inherent high electron affinity and amphiprotic redox behavior, establishing their application as versatile active material ...
Mechanistic Understanding of Organic Solar Cells: A Detailed Investigation on Role of Förster Resonance Energy Transfer, Dielectric Constant and Exciton Dynamics
Organic solar cells (OSC) have been emerging as promising energy harvesting technology because of their low-cost fabrication, semitransparency, solution processability and ability to be produced in large scale using ...
Development of Novel NMR Methodology and Investigation of Challenging Chemical Problems
The thesis is entitled as "Development of Novel NMR Methodology and Investigation of Challenging Chemical Problems ". The research work reported in this thesis is mainly carried out in two directions. The initial focus ...
Modeling Magnetic Anisotropy in Single Chain Magnets
This thesis embodies work on modeling magnetic anisotropy in molecular magnets. Understanding the factors that govern the magnitude of anisotropy in these materials is crucial for tailoring molecules that can be used in ...
Investigating the Role of Domain Swapping in Aggregation of Globular Proteins
The broad objective of this thesis involves computationally modeling protein aggregation with special emphasis on the role of cosolvents and misfolded states. Chapter 1 contrasts the effect of biologically relevant co-solvents ...
Transport, Relaxation and Line shape in Quantum Dissipative Systems with Applications to Photosynthesis and Conjugated Polymers
The thesis entitled as “Transport, Relaxation and Line shape in Quantum Dissipative Systems with Applications to Photosynthesis and Conjugated Polymers” has been divided into five major parts and ten chapters.
In Part ...
Synthesis, Structure, Optical, SHG and Multiferroic Investigations on Compounds derived from Mineral Structures
The present thesis provides a systematic investigation of compounds derived from different mineral structures. The compounds were explored for their optical, visible light-activated photocatalysis, Second Harmonic Generation ...
Investigation of Weak Molecular Interactions by Multinuclear NMR Spectroscopic Techniques and Theoretical Computations
The work reported in this thesis contains extensive studies carried out to investigate the weak molecular interactions in small organic molecules by utility of multinuclear and multidimensional NMR spectroscopic techniques ...
New NMR Methods with high resolution and sensitivity for rapid data analysis
work is focused on: (i) Development of new fast and sensitivity enhanced NMR methods in solution state and their application to metabolomics and (ii) development of novel NMR methods in solution state for the rapid resonance ...
Molecular Dynamics Studies of Diffusion in Confined Regions
Diffusion of guest molecules under confinement of zeolites shows many interesting properties due to guest-host interactions. This thesis explores some of these interesting behaviours relating to the diffusion of guest ...