The past few decades have witnessed an almost exponential increase in interest in the field of metal organic frameworks (MOFs), which can be evidenced from the large number of scientific articles being published routinely ...

Properties of nanocrystals are extremely sensitive to their sizes when their sizes are smaller or of the order of the excitonic diameter due to the quantum confinement effect. The interest in this field has been concentrated ...

Crystal engineering offers a rational way of analyzing crystal structures and designing new structures with properties. The supramolecular synthon concept was introduced in 1995 and has shown versatility and utility in the ...

The thesis involves computer simulation and theoretical studies of dynamics of water under confinement and structural transformation in different complex systems. Based on the systems and phenomena of interest, the work ...

The present thesis deals with a theoretical study of electronic structures in -conjugated molecular materials with focus on their application in organic elec-tronics. We also discuss a modified and efficient symmetrized ...

Electrochemical capacitors or supercapacitors or ultracapacitors are potential energy storage devices that could help bringing major advances in future energy storage applications. Unlike batteries that store energy in ...

The research work reported in this thesis is focused on the chiral analysis, quantification of enantiomeric composition, assignment of absolute configuration of molecules with chosen functional groups. The weak intra-molecular ...

The properties of bulk 3D materials of metals or semiconductors are manifested with various length scales(e.g., Bohr excitonic radius, magnetic correlation length, mean free path etc.) and are important in controlling their ...

The organic light-emitting diode (OLED) technology is emerging to be the future technology of choice for thin, flexible and efficient display and lighting panels and is a potential competitor for the existing flat panel ...

The thesis entitled "Phase Behaviour in Crystalline Solids: Exploring the Structure Guiding Factors via Polymorphism, Phase Transitions and Charge Density Studies" consists of five chapters divided into two parts. A basic ...