The present thesis work deals with the studies involving synthesis of vanadium-based complexes as photoactivated chemotherapeutic as well a photodynamic therapeutic agent. Their interactions with DNA, as double-stranded ...

In summary, we have performed first-principles calculations to study the topological phase transitions in chalcopyrite compounds as a function of hydrostatic pressure. These compounds are topological insulators in the ...

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 ...

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 ...

The importance of non-covalent interactions cannot be undermined, as it permeates nearly every sphere of chemistry. The hydrogen bond is the most well-known and ubiquitous non-covalent interaction. In recent times similar ...

SnSe2 is a semiconductor with unique and interesting properties such as band gap with layer thickness dependence. Theoretically, it has been predicted that the band gap can be varied between 1.2 and 2.04 eV. This range of ...

We successfully designed and synthesized a series of thiophene based luminophores. We were able to modulate the optical band gap of these luminophores by systematically fine-tuning the chemical structure of these compounds. ...

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 ...

In order to make clean and sustainable energy conversion, systems primarily requires the development of highly efficient and robust catalysts. One of the main challenges for designing the catalysts is to minimize the cost ...

In the mesoscopic world, diffusion is a ubiquitous process and it is usually explained by the Einstein’s theory of Brownian motion (BM). However, in the biological systems, some peculiar dynamical behaviors are observed ...