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, ...

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, ...

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 ...

The evolution of drug resistant bacteria has become a severe threat to public health globally. The misuse of conventional antibiotics has led to the development of multi-drug resistant bacteria. Even though antibiotics ...

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 ...

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 ...

Supramolecular gels are soft substances made of elastic cross-linked three-dimensional network connected by noncovalent interactions such as hydrogen bonds, hydrophobic interactions, donor-acceptor interactions, π- π ...

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 ...

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 ...

The metal-organic framework (MOF) compounds exhibit interesting developments in coordination chemistry, materials science and other branches of chemistry. These compounds have potential applications in diverse fields ...