Division of Chemical Sciences
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Mechanistic and Stereochemical Insights into Dirhodium and Enzyme Catalyzed Reactions
Harariya, Mahesh SinghTransition metal–catalyzed carbene generation from diazo compounds constitutes a powerful strategy for constructing C–X bonds (X = N, O, S, Si, B, etc.), employing catalysts such as Rh, Pd, Cu, Fe, Au, and enzymes. Amongst ... -
Exploring Emergent Quantum Phenomena in Two-dimensional Materials
Mishra, SubhenduThe most crucial aspect of modern electronics is to replace conventional charge transport with an alternative source, such as spin or valley, to design a compact and non-volatile storage system. In light of this, ... -
Benchmark study of density functional approximations (DFAs) for single-electron and closed-shell fluorine, halogen, hydrogen, lithium, and sodium bonding
Khanal, Govinda PrasadFluorine bonding (FB), a subset of halogen bonding (HalB), involves a covalently bonded fluorine acting as a halogen-bond donor through a σ-hole. Chopra and Row1 first demonstrated FB and others confirmed its further.² ... -
Chemical Approaches to Study Immune Activation Against Cancer Cells Mediated by Synthetic Tn Antigen Glycoconjugates
Keerthana, T VCancer immunotherapy has emerged as a transformative approach to treating malignancies, offering specificity, immune memory and reduced systemic toxicity, as compared to conventional therapies. Among the strategies, the ... -
Smart Magnetic Materials: Bistability in Metallo-Supramolecular Assemblies and Transition Metal-Based Coordination Architectures
Ghosh, SounakFull text embargo upto August 4, 2028 Magnetism is one of the most remarkable and essential phenomena on Earth, found almost everywhere. Magnetic materials are crucial to modern life, making it hard to imagine contemporary ... -
Design, Synthesis and Conformational Analyses of Hydrogen Bond Surrogate Constrained Turn and Loop Mimetics of Biorelevant Peptides
Kumar, AnkurFull text embargo up to 1/8/2027 Proteins are the primary functional machines of all living systems, however, due to their structural complexity, chemical instability and low bioavailability, proteins (large or small) ... -
Synthesis, Structures and Properties of Compounds derived from Inorganic Mineral Structures
Sasmal, ShreyaIn the field of inorganic materials chemistry, a wide variety of compounds belonging to structures based on rock salt, spinel, corundum, perovskite, garnet, pyrochlore, etc. have highly adaptable structures, and their ... -
Intermolecular potential for 12-ring zeolites, hydrogen bond dynamics and diffusion of uranyl ion and hydrocarbon confined to zeolite and related studies
Ahsan, Shamimul S A MIntermolecular Potential for 12-ring zeolites, hydrogen bond dynamics and diffusion of uranyl ion and hydrocarbon confined to zeolite and related studies Abstract Understanding the behavior of fluids and ions confined ... -
XPS and auger studies of transition metal oxides ICF systemsand surface oxidation of metals
Sarma, D DAbstract Not Available -
Electronic structure of non-stoichiometric oxides and related studies
Barman, S RThe importance of oxygen non-stoichiometry in influencing the electronic properties of oxides has been increasingly realized following the discovery [1] of high-temperature superconductivity. In the simplest approximation, ... -
Theoretical studies of (i) Electronic states and electron - hole recombination in -conjugated systems and (ii) Magnetic properties of spin ladders
Tandon, KunjThere exist a host of methods for the solution of quantum many-body problems. Each method has its merits and demerits, making it suitable for a certain class of problems. We have focused on the description of DMRG and exact ... -
Monte carlo simulations of condensed phases of hydrocarbons and studies of the correlated electronic structure of large conjugated systems
Chakrabarti, AparnaMonte Carlo calculations have been carried out on 2,2-dimethylpropane (neopentane), n-pentane, 2-methylbutane (isopentane), and 2,2-dimethylbutane (neohexane) at several temperatures to obtain thermodynamic properties, ... -
Infrared spectroscopic studies of phase transactions in ammounium salts and organic crystals
Ganguly, SomanathThe infrared spectrum of CsNO? has been investigated through its phase transition at 434 K. The spectrum of the low-temperature phase (II) exhibits all the bands of the NO?? ion. The E? and E? modes are observed, and the ... -
Studies in the alkylation of alicyclic esters. (i) Stereoselectivity in the Alkylation of a Cis fused Decalin Diester (ii) p-Ketoesters as Synthons for Natural Products
Premchandran, R HThe research described in the thesis entitled "Studies in the Alkylation of Alicyclic Esters: (i) Stereoselectivity in the alkylation of a cis-fused decalin diester; (ii) ?-ketoesters as synthons for natural products" falls ... -
Sesquiterpenic indanes: synthetic studies
Sarma, Prasad M SThe thesis entitled "Sesquiterpenic Indanes: Synthetic Studies" consists of six chapters. In Chapter 1, the first total synthesis of mutisianthol (9), a sesquiterpene of plant origin, is described. The dehydration of ... -
Topics in physical organic chemistry. i. Correlations of Spectral Parameters and Electron Distributions ii. In Select Systems under Divided Substituent Parameter Schemes iii. Kinetics of Oxidation of Benzildioxime by Ferricyanide
Rajendran, NThis thesis entitled "Topics in Physical Organic Chemistry", and subtitled "(i) Correlations of spectral parameters and electron distributions in selected systems under divided substituent parameter schemes; and (ii) ... -
Synthetic studies in anthracyclinones
Rao, Vishnumurthi MThe thesis titled "Synthetic Studies in Anthracyclinones" is divided into three chapters. Chapter 1 Section 1 An introduction to the present work is given which discusses the motivation and approach towards the synthesis ... -
Mechanism of Metal-Ammonia Reduction and the Synthetic Utility of Cyclohexadienes
Charels, Christopher KanakamThe thesis entitled, "Mechanism of Metal-Ammonia Reduction and the Synthetic Utility of Cyclohexadienes," consists of two chapters. The first chapter, comprising three sections, deals with the study of the mechanism of ...