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Electronic, Magnetic and Local structure of Some Selected Strongly Correlated Systems
According to independent electron band structure theories, transition metal oxides (TMOs) with partially filled 3d valence band are predicted to be metallic in nature. Though in reality, most of them are insulators. Mott ...
Metal Ion Mediated Riboswitch Folding and Cognate Ligand Sensing
Riboswitches are noncoding RNA molecules that can control gene expression upon cognate ligand binding. Riboswitches are primarily present in bacteria and are crucial for bacteria's survival, which makes riboswitches ...
Enabling Lithium Metal Anode for Garnet Electrolyte based Solid State Batteries
Solid-state lithium metal batteries (SSLMB) employing inorganic solid electrolytes (ISE) in conjunction with lithium metal anode and intercalation cathode are considered among the most promising alternatives for Li-ion ...
Cocrystallization Studies Extending from Small Molecules to Proteins: a) Cocrystals, Salts and Eutectics, b) Chemical, Structural and Biological Evaluation of Anthrapyrazolones as Inhibitors of JNK proteins
In summary, we have designed and synthesized three halogenated derivatives of 1,9-
pyrazoloanthrone. The involvement of halogen bonding provides highly directional
interactions in the binding pocket and hence demonstrates ...
Studies on Nanostructured Transition Metal Oxides and Related Composites for Supercapacitor Electrodes
Supercapacitors have acquired considerable scientific and technological position in energy storage field owing to their compelling power capability, good energy density, excellent cycling stability and ideal safety. ...
Supramolecular Self-assembly of Diketopyrrolopyrrole with Emergent Photophysics and Unprecedented Photoconductivity
Structural fluctuation in organic molecular semiconductors often plays a key role in fragmenting the conducting pathways even in their condensed phases due to the large fraction of free volumes, acting as trap sites for ...
Minerals to Functional Materials: Comprehensive Evaluation of Vanthoffites and Related Materials towards Futuristic Multifunctional Applications
The thesis provides a systematic investigation of materials derived from different mineral species such as vanthoffite and related minerals structures. Search of new multifunctional materials continues to be a challenge ...
Investigating the Role of Domain Swapping in Aggregation of Globular Proteins
The broad objective of this thesis involves computationally modeling protein aggregation with special emphasis on the role of cosolvents and misfolded states. Chapter 1 contrasts the effect of biologically relevant co-solvents ...
Local Structural Investigations of Composition-driven Changes in Inorganic Solid Solutions
A smaller sized dopant replacing a larger sized element in a compound creates chemical pressure, resulting in a contraction of the lattice parameter and likewise a “negative” pressure is created by substitution of larger ...
Development of Novel NMR Methodology and Investigation of Challenging Chemical Problems
The thesis is entitled as "Development of Novel NMR Methodology and Investigation of Challenging Chemical Problems ". The research work reported in this thesis is mainly carried out in two directions. The initial focus ...