Browsing Division of Chemical Sciences by Title
Now showing items 415-434 of 954
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Machine learning and density functional theory assisted insights into the mechanical and oxidation properties of nickel-based superalloys
Due to global warming and increasing fuel costs, there is a constant thrust toward increasing fuel efficiency and reducing the emissions of gas-turbine engines, which are made out of superalloys. New superalloy materials, ... -
Maleimide Based Materials for Organic Light-Emitting Diodes (OLEDs)
(2018-06-11)Maleimide based highly luminescent material Cbz-MI with donor acceptor donor (D-A-D) backbone has been synthesized and characterized. An organic light emitting diode fabricated using this material as emitting layer exhibited ... -
Manipulation of Spin Dynamics and Multifaceted Applications of NMR Spectroscopy to Small Molecules
The investigations have been carried out in the thesis entitled as “Manipulation of Spin Dynamics and Multifaceted Applications of NMR Spectroscopy to Small Molecules” to address the challenging problems encountered in ... -
Mapping The Reaction Coordinate For The Oxidative Addition Of Molecular Hydrogen To A Metal Center
(2010-07-15)The binding of molecular hydrogen to a metal center leads to the elongation of the H−H bond and subsequently to its cleavage along the reaction coordinate for the oxidative addition of H2. There has been considerable ... -
Materials Chemistry in Search of Energy Materials : Photovoltaics and Photoluminescence
(2017-11-28)One third of world’s total energy is used in production of electricity and one fifth of the total electricity produced in the world is used in lighting. Hence, the materials that have high potential in the field of ... -
Materials For Hydrogen Generation, Storage, And Catalysis
(2013-01-22)Hydrogen, nature’s simple and the most abundant element has been in the limelight for the past few decades from the stand point of the so-called hydrogen economy. With a high calorific value (142 MJ/kg) that is three times ... -
Mechanism Of The Benzoin Condensation And Related Studies
(2014-09-22)Chapter 1: An assessment of the mechanism of the benzoin condensation. The reaction under non-hydroxylic conditions. The generally accepted mechanism for the well known benzion condensation is unviable for the following ... -
Mechanisms of Formation and Thermal Stabililty of Functional Nanostructures
(2018-02-22)There are many challenges in materializing the applications utilizing inorganic nanoparticles. The primary drawback is the degradation of properties due to aggregation and sintering either due to elevated temperatures or ... -
Mechanistic And Synthetic Investigations On Carboxylic Anhydrides And Their Analogs
(2011-02-09)This thesis reports diverse synthetic and mechanistic studies in six chapters, as summarized below. Chapter 1. Revised mechanism and improved methodology for the perkin condensation.1 The generally accepted mechanism for ... -
Mechanistic Insights for Controlling Electromagnetic Interference Shielding Through Microwave Absorption in Magnetic Composites
Extensive use of electronic devices in daily communication and information technology causes high (microwave) frequency electromagnetic interference (EMI). This EMI often leads to noise, data misinterpretation or malfunctioning ... -
Mechanistic Insights Into Small Molecule (Amine-Boranes, Hydrogen, Methane, Formic Acid Carbon dioxide) Activation Using Electrophilic Ru(II)-Complexes
(2017-11-09)Current fossil fuels (Coal and Petroleum) based economy is not sustainable in the long run because of its dwindling resources, and increasing concerns of climate change due to excessive carbon dioxide (CO2) emission. To ... -
Mechanistic Insights into the Chemical and Electronic Doping for Advanced Optoelectronic, Catalytic, and Quantum Applications
Doping via the incorporation of ionizable entities within solid-state materials represents a promising strategy for the generation of mobile or localized charge carriers. Conventionally, doping has been perceived as an ... -
Mechanistic Investigation and Engineering of a Membrane-Bound Hydrocarbon-Producing Metalloenzyme
The pursuit of sustainable and environmentally friendly fuels, such as biofuels, is gaining attention as an alternative to diminishing fossil fuel resources. Consequently, there is a significant focus on the sustainable ... -
Mechanistic Investigation of Metal Promoted Nucleophilic Additions
(2017-11-30)Nucleophilic additions are an important class of reactions in the preparation of several organic compounds. Metals facilitate nucleophilic additions in many cases. The present work Mechanistic Investigation of Metal Promoted ... -
Mechanistic Studies of Transfer Hydrogenation Catalyzed by Ru(ll)-Half-Sandwich and Group 6 NHC complexes
The thesis explores the mechanistic aspects of transfer hydrogenation of ketones and hydrosilylation of imines; two commonly used organic transformations catalyzed by ruthenium half-sandwich complexes of 2-oxazolidinethiones, ... -
Mechanistic Understanding of Growth and Directed Assembly of Nanomaterials
(2018-06-11)When materials approach the size of few nanometers, they show properties which are significantly different from their bulk counterpart. Such unique/improved properties make them potential candidate for several emerging ... -
Mechanistic Understanding of Organic Solar Cells: A Detailed Investigation on Role of Förster Resonance Energy Transfer, Dielectric Constant and Exciton Dynamics
Organic solar cells (OSC) have been emerging as promising energy harvesting technology because of their low-cost fabrication, semitransparency, solution processability and ability to be produced in large scale using ... -
Metabolism Of Caffeine And Its Analogues By A Mixed Culture
(2012-02-24) -
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 ...