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 380 for “"theoretical studies"”.
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Theoretical studies on organic semiconductors
The thesis is concerned with the calculation o f carrierm obilities in organic molecular crystals.Five models which have been proposed to account for thetransport of charge carriers in such crystals are discussed andevaluated in the light of the most recent improvements in theestimates of transfer …
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Theoretical Studies of Quantum Dynamics
Using the FPF method, we have carried out accurate path integral simulations of the primary charge separation in bacterial photosynthesis. The process is modeled in terms of three coupled electronic states corresponding to the photoexcited special pair, the reduced accessory bacteriochlorophyll and …
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Theoretical Studies of Particle/Polymer Mixtures
This thesis reports a theoretical study of polymers in the presence of particles. An analytical theory is used to describe the potential of mean force between spheres for the case where the polymer molecular weight dispersity is described by the Schulz-Flory distribution. Exact results are derived …
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Theoretical Studies of Protein-Protein Interactions
… system using variety of techniques from theoretical methods, e.g. First Passage Processes method, to Molecular Dynamics and Brownian Dynamics simulations. We first gain insights into the structure of the ERK2-EtsΔ138 complex. We find that in the lowest energy complex F120 residue of …
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Theoretical studies of few-body problems
<p>"Heavy ion collisions with atomic and molecular targets produce many outcomes. The Schrödinger equation is not analytically soluble for more than two mutually interacting particles. As a result, theory must resort to using approximations, the validity of which is determined by comparison with …
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Theoretical studies of water on substrates
<p>"Model interaction potentials for H<sub>2</sub>O on a basal f)-silver iodide substrate containing two types of defects, a potassium impurity and a four atomic layer ledge, are used to calculate optimal binding energy contours for the adsorbed H<sub>2</sub>O molecule. (J. Phys. Chern. 84, …
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Theoretical studies of the pulsar magnetosphere
Quantitative models of the plasma magnetosphere surrounding a rotating. magnetized. neutron star (pulsar) are studied in this thesis. Both the aligned model (rotation axis parallel to magnetic axis) and the nonaligned model are considered. An energy analysis is performed on two explicit models of …
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Theoretical studies of heavy fermion materials
Thesis: Ph. D., Massachusetts Institute of Technology, Department of Physics, 1986
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Fast GC: Applications and Theoretical Studies
… are presented for the first time in support of a theoretical model of band broadening proposed by Blumberg (1997). This model addresses the effects of the compressibility of the mobile phase in gas chromatography and presents an equation derived from only two mutually independent variables. …
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Spectroscopic and theoretical studies of small molecules.
… (CH2CI2). High resolution (~0.05cm-1) infrared studies of ketene were carried out and complete analyses performed to the A1 species vibrations v1-v4, allowing the determination of revised vibrational frequencies and rotational parameters. Perturbations found to be present in all bands were …
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Theoretical studies of the mid-latitude ionosphere
… all three ions, O+ ,H+ and He+ , are treated theoretically as major ions and we concentrate mainly on light ion contents and fluxes. The results of this Chapter indicate that by assuming He+ as a minor ion we under-estimate He+ and over-estimate. H+. Some interesting features concerning the …
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Theoretical studies of thermal syn elimination reactions
An ab initio molecular orbital study of two classes of thermal syn elimination reactions was undertaken in order to provide insight into the mechanism of these reactions. In general, thermal syn elimination reactions involve a one step process with a cyclic transition structure. The first class …
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Theoretical studies of the VASIMR plasma propulsion concept
… fluid-type simulations confirm the theoretical picture of the near-resonance behavior and wave energy conversion into the energy of the directed ion flow. The regimes relevant to the VASIMR experiment are discussed and issues such as the transition of plasma profiles and the increase …
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Theoretical studies of strongly interacting fine particle systems
A theoretical analysis of the time dependent behaviour of a system of fine magnetic particles as a function of applied field and temperature was carried out. The model used was based on a theory assuming Neel relaxation with a distribution of particle sizes. This theory predicted a linear variation …
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Theoretical Studies on the ultrafast photodissociation of molecules
Ultrafast photodissociation is a fundamental process in nature. In this thesis we present a study of three very different systems which undergo photodissociation on the femtosecond timescale. A major feature of these processes is the often complex topology of the potential energy surfaces due to …
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Experimental and Theoretical Studies of Supercritical Fluid Behavior
A dynamic flow column apparatus is built and used to measure the solubilities of two decarboxylated amino acids, tryptamine and histamine, in supercritical ammonia (supercritical in pressure only) at 50(DEGREES)C. Solubilities are obtained for the pure solids and mixtures of the solids in 1:1 mole …
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Theoretical studies of nuclear burning on white dwarfs
Thesis (B.S.)--Massachusetts Institute of Technology, Dept. of Physics, 1997.
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