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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 ...
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 ...
New NMR Methods with high resolution and sensitivity for rapid data analysis
work is focused on: (i) Development of new fast and sensitivity enhanced NMR methods in solution state and their application to metabolomics and (ii) development of novel NMR methods in solution state for the rapid resonance ...
Computational Study of General Relationships in Chemistry: C−C, C−N, and B−B Coupling, B−B Catenation, and 2D Metal Borides
Elements in the periodic table are categorized into four major blocks, main group (MG) elements, transition metals (TM), lanthanides (Ln), and actinides (An), which differ dramatically. Recent studies revealed some interesting ...
A Study of Dissipative Phenomena in Semiconductor Nanocrystals
Quantum dots (QDs) are semiconductor nanoparticles, where carriers are confined in regions smaller than a few tens of nanometers. The physics governing the behavior of these nano structures are fundamentally different from ...
Studies on switching of J and H aggregates in Donor-Acceptor molecular materials
The aggregation of molecular materials plays a central role in determining their functional
properties. In the aggregated state, conjugated chromophores may exhibit enhanced
emission, in comparison to their dilute ...
Theoretical Studies of Skewed Spin Ladders and Polycyclic Aromatic Hydrocarbons
This thesis is an effort to understand electronic structure and optical properties of low-dimensional
conjugated molecules such as polyatomic aromatic hydrocarbons and nanoribbons composed
of perylene monomers in addition ...
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 ...
Studies on the synthesis and applications of I-III-VI2 semiconductor nanocrystals
Nanomaterials have been a topic of extensive research for the past several decades. This is because their properties act as a bridge between their bulk and atomic counterparts. Broadly, nanoparticles can be characterized ...
Microwave Rotation-Tunnelling Spectroscopic and Theoretical Studies on Weakly Bound Molecular Complexes: Intermolecular Bonding across the Periodic Table
Intermolecular interactions appear to be well understood in a broad sense today; at a deeper molecular level, it is still evolving. Spectroscopy in this isolated state proved to be a first step toward understanding the ...