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Aqueous systems from first-principles : structure, dynamics and electron-transfer reactions
(Massachusetts Institute of Technology, 2006)
In this thesis, we show for the first time how it is possible to calculated fully from first-principles the diabatic free-energy surfaces of electron-transfer reactions. The excitation energy corresponding to the transfer ...
Defects, thermal phenomena and design in photonic crystal systems
(Massachusetts Institute of Technology, 2006)
The physics of blackbodies has been an ongoing source of fascination and scientific research for over a hundred years. Kirchhoff's law states that emissivity and absorptivity are equal for an object in thermal equilibrium. ...
D-branes and string field theory
(Massachusetts Institute of Technology, 2006)
In this thesis we study the D-brane physics in the context of Witten's cubic string field theory. We compute first few terms the low energy effective action for the non-abelian gauge field A, from Witten's action. We show ...
Unequal development : decentralization and fiscal disparities in the Metropolitan Zone of the Valley of Mexico
(Massachusetts Institute of Technology, 2006)
This study is about the impact of decentralization in metropolitan areas. Studies of fiscal decentralization have largely centered on the formal tiers of government, without looking at the effects of this process on the ...
Optical studies of DNA-wrapped carbon nanotubes
(Massachusetts Institute of Technology, 2006)
This thesis presents a series of detailed optical studies of phonon-assisted relaxation processes in DNA-wrapped single walled carbon nanotubes. Using resonance Raman spectroscopy (RRS) and photoluminescence spectroscopy ...
Synthetic and mechanistic study of catalytic dintrogen reduction
(Massachusetts Institute of Technology, 2006)
The dinitrogen reduction capability of a series of new triamidoamine based molybdenum compounds has been studied. The synthesis of a number of different triamidoamine ligands, and their resulting molybdenum compounds, is ...
Metal-based turn-on fluorescent probes for nitric oxide sensing
(Massachusetts Institute of Technology, 2006)
Chapter 1. Metal-Based Turn-On Fluorescent Probes for Sensing Nitric Oxide. Nitric oxide, a reactive free radical, regulates a variety of biological processes. The absence of tools to detect NO directly, rapidly, specifically ...
An error-controlled adaptive chemistry method for reacting flow simulations
(Massachusetts Institute of Technology, 2006)
Many technologically important processes in the chemical and mechanical industries involve coupled interactions of heat and mass transfer with chemical reactions - e.g. commercial burners, gas turbines, internal combustion ...
Synthesis and characterization of conducting polymers with new architectural motifs
(Massachusetts Institute of Technology, 2006)
Chapter one has a brief discussion of polythiophene and the important factors to consider with polythiophene synthesis and characterization. In chapter two, a variety of polythiophene derivatives that incorporated 2,2'-biphenyl ...
A-Posteriori bounds on linear functionals of coercive 2nd order PDEs using discontinuous Galerkin methods
(Massachusetts Institute of Technology, 2006)
In this thesis, we extend current capabilities in producing error bounds on the exact linear functionals of linear partial differential equations in a number of ways. Unlike previous approaches, we base our method on the ...