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Now showing items 291-300 of 318
Design and synthesis of nanocrystal heterostructures for optoelectronic applications
(Massachusetts Institute of Technology, 2008)
Colloidal semiconductor nanocrystals can be used for a variety of optoelectronic applications including light emitting devices (LEDs) and photovoltaics. Their narrow emission spectra make them excellent fluorophors for use ...
Role of fluctuations and defects in select condensed matter problems
(Massachusetts Institute of Technology, 2008)
Defects and fluctuations dominate both static and dynamical properties of systems in the condensed phase. In this work, we focus on three such examples. Firstly, we model the effect of proton fluctuations on the rate of ...
Modeling the flexibility of alpha helices in protein interfaces : structure based design and prediction of helix-mediated protein-protein interactions
(Massachusetts Institute of Technology, 2008)
Protein-protein interactions play an essential role in many biological functions. Prediction and design of these interactions using computational methods requires models that can be used to efficiently sample structural ...
Development of transition state analogues targeting chitinases and oligosaccharyl transferase
(Massachusetts Institute of Technology, 2006)
Oligosaccharyl transferase (OT) plays a central role in the biosynthesis of asparagine-linked glycoproteins in eukaryotic systems. The glycosylation step catalyzed by OT involves the co-translational transfer of a ...
Quantum-classical correspondence in response theory
(Massachusetts Institute of Technology, 2008)
In this thesis, theoretical analysis of correspondence between classical and quantum dynamics is studied in the context of response theory. Thesis discusses the mathematical origin of time-divergence of classical response ...
The development of palladium-catalysts for organic synthesis
(Massachusetts Institute of Technology, 2007)
Chapter 1. Suzuki-Miyaura coupling reactions of aryl and heteroaryl halides with aryl-, heteroaryl and vinyl boronic acids proceed in very good to excellent yield with the use of 2-(2',6'-dimethoxybiphenyl)-dicyclohexylphosphine, ...
Metal-ligand redox interaction in the multielectron chemistry of porphyrinogen coordination compounds
(Massachusetts Institute of Technology, 2006)
Metal complexes of the macrocycle porphyrinogen (calix[4]pyrrole) are studied with an emphasis on the redox activity ("non-innocence") of the ligand (Chapter I). Porphyrinogen complexes of spherical, redox-inert metal ...
Development of phonon-polarization THz spectroscopy, and the investigation of relaxor ferroelectrics
(Massachusetts Institute of Technology, 2006)
This thesis develops phonon-polariton based THz spectroscopy and uses this technique to make the first THz frequency dielectric measurements of a relaxor ferroelectric crystal, in particular KTao0.982Nb0.018O3 (KTN 1.8). ...
Vibrational dynamics in water from the molecule's perspective
(Massachusetts Institute of Technology, 2005)
Liquid water is a fascinating substance, ubiquitous in chemistry, physics, and biology. Its remarkable physical and chemical properties stem from the intricate network of hydrogen bonds that connect molecular participants. ...
Applications of novel boron-nitrogen containing heterocycles : design and synthesis o planar-chiral Lewis acids for stereoselective organic synthesis
(Massachusetts Institute of Technology, 2004)
Because Lewis acids are very versatile mediators of a variety of stereoselective organic transformations, a great deal of effort has been devoted toward the development of chiral Lewis acids. This thesis describes the ...