Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 30 for “"Condensed Phases"”.
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Relaxation and spectra in condensed phases
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 1997.
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Exploring condensed phases in engineered semiconducting nanocrystals
… morphologies, compositions, and crystallographic phases. My dissertation research focuses on the understanding of the physical properties and phase transitions of these new nanomaterials prepared by cation exchange. In Chapter 1, I describe the countless possibilities of the exploration of …
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Statistical Mechanics of Nonrigid Molecules in Condensed Phases
Made available in DSpace on 2014-12-13T20:10:18Z (GMT). No. of bitstreams: 1 7804119.pdf: 6458810 bytes, checksum: 42651c7da6f92872cbce809eda56bc57 (MD5) Previous issue date: 1977
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Quantum Statistical Mechanics of Molecules in Condensed Phases
Submitted by Carolyn Rauber (crauber2@illinois.edu) on 2011-06-03T16:34:57Z No. of bitstreams: 1 1981_schweizer.pdf: 8853902 bytes, checksum: 0a9149b91e8424706f06a29a796658f1 (MD5)
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Developing analytical tools for saccharides in condensed phases
Carbohydrates are conformationally very complex molecules. It is this complexity that lies at the basis of the important roles that these molecules play in many biochemical and biomaterial systems. Moreover, the unusual response of these macromolecules to their environment allow them to play these …
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Path integral methods for quantum dynamics in condensed phases
… effects play an important role in dynamics of condensed phases. It is also well known that the difficulty of solving the full Schrödinger equation grows exponentially with time. One approach to cope up with this difficulty is to restrict quantum treatment to a few particles (system) and treat …
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Photolysis Kinetics of Aromatic Pollutants in Liquid and Solid Environmental Condensed Phases
<p>Condensed phases in the environment are often chemically complex. Reactivity can differ significantly depending on the physical state (i.e. solid or liquid) and composition. Many laboratory studies that investigate reaction kinetics in condensed phases are done under simplified conditions that …
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Tunneling Systems in Condensed Phases: Quantum Dynamical Monte Carlo and Analytical Theories
A Monte Carlo method for the evaluation of real time path integrals at finite temperatures is proposed. The technique is applied to two level tunneling systems coupled to many body environments, models for electron transfer and for the quantum coherence phenomenon in Josephson junctions. A …
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Theoretical study of single-molecule spectroscopy and vibrational spectroscopy in condensed phases
… spectroscopy and vibrational spectroscopy in condensed phases. The first part of the thesis concentrates on studying dynamic disorders probed by single molecule fluorescence spectroscopy. Event statistics and correlations of single-molecule fluorescence sequences of modulated reactions are …
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Quantum dynamics in condensed phases : charge carrier mobility, decoherence, and excitation energy transfer
… investigations on several dynamical processes in condensed phases. First, we study charge-carrier mobilities in organic molecular crystals, and develop a microscopic theory that describes both the coherent band-like and incoherent hopping transport observed in organic crystals. We investigate the …
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Towards routine modelling of condensed phases with the accuracy of quantum Diffusion Monte Carlo
Molecular crystals are critical in diverse fields, including organic semiconductors, optoelectronics, medicine, and pharmaceuticals. A primary aim of computational studies in this area is to aid experimental structure determination and predict finite-temperature relative stabilities with …
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Femtosecond spectroscopic and molecular dynamics simulation studies of chemical reaction dynamics in condensed phases
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 1995.
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Dynamics and spectra in condensed phases : single molecule spectroscopy, electron transfer, and excitation energy transfer
… problems regarding dynamics and spectra in condensed phases are theoretically analyzed via analytical models. The thesis consists of four main topics. First, a theoretical description of single molecule spectroscopy is presented in order to study time-dependent fluctuations of single …
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I. Excitonic phase diagram in Si: evidence for two condensed phases ; II. Motion of photoexcited carriers in GaAs/Alx̳Ga1̳-̳x̳As multiple quantum wells : anomalous confinement at high densities
… Excitonic Phase Diagram in Si: Evidence for Two Condensed Phases At low temperatures and sufficient densities, free excitons in Si and Ge undergo a simultaneous gas-liquid and insulator-metal transition into droplets of electron-hole liquid. Some previous theoretical and experimental studies have …
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I. Excitonic Phase Diagram in Silicon: Evidence for Two Condensed Phases. II. Motion of Photoexcited Carriers in Gallium-Arsenide/aluminum(x)gallium(1-X)arsenide Multiple Quantum Wells--Anomalous Confinement at High Densities
This thesis describes work on the thermodynamics and transport properties of photoexcited carriers in bulk and two-dimensional semiconductors. Two major topics are addressed.
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Laboratory Investigations Into the Fate of Aromatic Pollutants in Natural Waters
<p>Condensed phases in the atmosphere, such as cloud droplets and aerosols, often contain both water and organic matter (OM). Reactivity can differ significantly between aqueous and organic phases. We have measured photolysis kinetics of the polycyclic aromatic hydrocarbons (PAHs) anthracene and …
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Microwave Rotational Studies of Small Clusters
… towards bridging the gap between the gas and condensed phases. The clusters, or complexes, have been studied using pulsed-nozzle Fourier transform microwave spectroscopy. The technique as was originally developed has been modified, with these improvements commented on.
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Chiral macromolecules bearing configurationally ordered dipolar functional groups: Molecular design, synthesis and phases
… govern the formation and structure of ordered phases in polymeric materials are poorly understood. This work studies the relationship between configurational order among dipolar functional groups bound to a semirigid polymer backbone and the nature of the condensed phases of these materials. …
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The self-assembly of proteins: Probing anisotropic protein-protein interactions using phase diagrams
… the solution conditions in which protein condensed phases such as the dense liquid phase due to liquid-liquid phase separation, protein crystals, protein gels and physical states such as protein aggregates occur. In a series of double mutants, two distinct behaviours associated with each …
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