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Now showing items 51-53 of 53
Investigations of Structure-Property Relationships in NPI and BODIPY Based Luminescent Material
(2018-08-09)
Luminescent materials find numerous applications in recent times and have enriched human lives in several different ways. From display and lighting technologies to security, sensing and biological investigations, luminescent ...
Ab Initio Molecular Dynamics Studies of Bronsted Acid-Base Chemistry in Aqueous Solutions
(2018-08-11)
Knowledge of the dissociation constants of the ionizable protons of weak acids in aqueous media is of fundamental importance in many areas of chemistry and biochemistry. The pKa value, or equilibrium dissociation constant, ...
Exploring Structure and Reactions : Computational Studies on Three-Membered Rings, Metal-Boron Multiple Bonds and Biradical Reactions
(2018-04-06)
The utility of computational study lies not only in rationalizing a chemical phenomenon but also in its predictive value. Broadly, the scope of my research work includes understanding of the structure and bonding of
molecules ...