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    Structure - Property Correlation in MA1-yFAyPbX3 (X = I, Br) Perovskites 

    Mohanty, Ashutosh
    Hybrid Organic-Inorganic Lead Halide Perovskites (HOIP) are represented by APbX3, where A is the methylammonium cation (MA: (CH3NH3)+) or the formamidinium cation (FA: (CH(NH2)2)+), X is halide anion. HOIP have emerged as ...

    Oxidation of CO Catalysed by Nanometric Mono and Bi-Noble Metals on Various Oxide Supports 

    Singhania, Nisha
    Air pollution results mainly from the injurious smoke emitted by cars, buses, trucks, factories etc. This smoke contains carbon monoxide, unburned hydrocarbons and oxides of nitrogen and sulphur. In case of cars, catalytic ...

    Exploring Topological Phases of Matter using Density Functional Theory and Machine Learning Approaches 

    Barik, Ranjan Kumar
    Topological phases of matter such as topological insulator (TI), quantum anomalous Hall insulator (QAHI), nodal line semimetal (NLSM), and triple point metal (TPM) can be realized by manipulating the spin-orbit coupling ...

    Alluaudite Class of High-Voltage Cathodes for Sodium-Ion Battery Applications: A Synthesis, Structure, Property Correlation Study 

    Dwibedi, Debasmita
    The work presented in this thesis demonstrates alluaudites as a niche class of compounds forming the rich treasure house of sodium insertion hosts. The potential of this open frame-worked alluaudites is immense and ...

    Design and Synthesis of Cyclic Diselenides and Selenenyl Sulfides for Biomimetic Applications 

    Chakrabarty, Gaurango
    Hydrogen peroxide (H2O2) plays important roles in cell signaling and redox reactions. However, elevated levels of H2O2 and organic peroxides induce oxidative stress, resulting in damage to biomolecules such as DNA, ...

    A Study of Dissipative Phenomena in Semiconductor Nanocrystals 

    Mukherjee, Arpita
    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 ...

    From collective relaxation phenomena to phase separation in binary mixtures and some contributions to the hydration dynamics in the vicinity of biologically active molecules 

    Hazra, Milan K
    The thesis presents detailed results of theoretical analyses based on extensive computer simulation studies with an aim to explore, quantify whenever possible, and understand the collective excitations, relaxation processes ...

    Design of Novel Protocols for Chiral Analysis and Exploring Hydrogen Bond Directed Conformations 

    Lakshmipriya, Anamalagundam
    The research work reported in this thesis is focused on the chiral analysis and exploring hydrogen bonding. In chiral analysis, the study is aimed at the introduction of new versatile chiral solvating agents (CSA) and also ...

    High-Resolution Charge Density Studies on Electronic Nature of Weak Interactions and Correlation of Molecular Conformation with Packing in Solid State 

    Sarkar, Sounak
    The thesis entitled “High-Resolution Charge Density Studies on Electronic Nature of Weak Interactions and Correlation of Molecular Conformation with Packing in Solid State” consist of five chapters. Chapter 1 is a brief ...

    Protein Folding, Function and Aggregation Role of Co-solvents and Topological Frustration 

    Aswathy, M N
    Proteins are biological macromolecules formed by sequentially joining natural amino acids through peptide bonds. The sequence of amino acids in a protein chain determines its three dimensional structure under physiological ...
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    AuthorAmsarajan, S (1)Anumol, S (1)Arya, Neeru (1)Asampille, Gitanjali (1)Asfiya, Rahmat (1)Aswathy, M N (1)Bag, Sampad (1)Barik, Ranjan Kumar (1)Behera, Bedabyas (1)Bej, Sujoy (1)... View MoreSubject
    NATURAL SCIENCES (142)
    NMR Spectroscopy (5)Supramolecular Chemistry (4)graphene (3)Hydrogen Bonding (3)Nanomaterials (3)nanoparticles (3)amino acids (2)cancer (2)Computer simulation (2)... View MoreHas File(s)
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