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Towards Electronic Scale Dynamics of Chemical Bonding in Isolated Molecules and Solvated Species
The chemical bonding in molecules and molecular clusters is determined by the nature of the electron density distribution between the atoms. Over the past century, different theories such as Lewis’s bond, valence-bond ...
Structural and Solvent Effects on Excited State Dynamics of Rhenium(I) Tricarbonyl α-Diimine Complexes: A Time-Resolved Spectroscopic and Computational Study
The nature of the lowest excited state in rhenium(I) complex with 1,10-phenathroline as ligand was first reported by Mark Wrighton and David. L. Morse. Since then many rhenium(I) complexes with different ligands having ...
Ethylene Glycol in the Liquid State: Structure, Conformation and Dynamics - A Study Using Ab Initio Molecular Dynamics Simulations
Ethylene glycol (EG) is an important organic molecule with unique properties and a wide range of applications. The EG molecule shares a structural motif with many biomolecules and serves as a part of the training set for ...
Non-covalent interactions in Crystals and Heterocycles of Sulphur and Selenium
Hydrogen bonding plays a very important role in the fields of both chemistry and biology. Conventionally it is represented as D-H---A, where D is the donor atom, A is the acceptor atom and H is the hydrogen atom. It has ...
Development of New Synthetic Methodologies for Selenocysteine, Selenopeptides and β-Seleno Amino Acids”
thesis mainly describes the synthesis
and characterization of novel selenium-containing amino acids for their potential application in
redox reactions. Several β-seleno-α-amino acids have been synthesized and fully ...
Design, Synthesis and Optical Characterization of 1,8-Naphthalimide based D-pi-A System
Design, Synthesis and Optical Characterization of 1,8-Naphthalimide based D-pi-A System
Luminescent materials find a lot of application in the field of OLEDs and bio-medical applications [1-2]. Our group has recently ...
Analytical models of selected stochastic processes in condensed phase systems
This thesis is a record of the research I have carried out over the last five years to understand a selection of problems in the broad area of single-molecule physics. These problems cover four broad themes: (i) dynamically ...
Protein Adsorption on Gold Nanoparticle and Protein Surfaces Probed by Second Harmonic Light Scattering
Second harmonic light scattering (SHLS) is a highly sensitive technique to probe
reactions at interfaces/surfaces because of symmetry breaking at the interface/surface
produces a large surface polarization which gives ...
Blue and Red Shifting H-Bonding in X−H···Y(X=C, O: Y = O, N, S) Complexes: A Gas Phase FTIR and ab initio Study
Regular H-bonding is essential for sustenance of many chemical and biochemical processes and has been investigated thoroughly since its discovery in the 1920’s. However, experimental finding of blue shifting of X-H stretching ...
Zeolitic Imidazolate Framework (ZIF-8) Supported Nanoparticles: Synthesis and Applications
Nanoparticles have gained great interest in various fundamental and applied areas of science and technology due to their tunable size dependent properties which is not achievable by their bulk counterparts. Nanoparticles ...