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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
11

Accurate ab initio intermolecular potentials with a focus on monomer flexibility

Murdachaew, Garold. January 2005 (has links)
Thesis (Ph.D.)--University of Delaware, 2005. / Principal faculty advisor: Krzysztof Szalewicz, Dept. of Physics and Astronomy. Includes bibliographical references.
12

Tunable laser spectroscopy of the NaNe A² -X² ⁺ system

Ahmad Bitar, Riad Nimr Abdel-Ghani January 1977 (has links)
Thesis. 1977. Sc.D.--Massachusetts Institute of Technology. Dept. of Physics. / Microfiche copy available in Archives and Science. / Bibliography : leaves 221-223. / by Riad Ahmad Bitar. / Sc.D.
13

Computational Simulation of Fluid Dynamics in Thin Films

Patil, Anand 01 May 2001 (has links)
We investigate the formation of droplets in a thin liquid film on a solid substrate due to the combined action of surface tension and van der Waals forces. Current models for droplet formation assume that droplets have a shallow profile. By removing that assumption and numerically solving for stable droplet profiles, we have modelled droplets that separate from the substrate on which they sit.
14

In-situ Chemical Synthesis and Light Emitting Diodes of Non-fully Conjugated Heterocyclic Aromatic Polymer with Functionalized Multi-Wall Carbon Nanotubes

Lin, Jun-shao 12 July 2008 (has links)
Luminescent emission of partially conjugated homopolymers was successfully demonstrated as light emitting diodes (LEDs). A series of coil-like heterocyclic aromatic poly(2,2¡¦-phenyl-5,5¡¦-bibenzimiazole) (Pbi) was synthesized and derivatized with alkyl pendants for changing the band gap to form different electroluminescence (EL) emissions. Because of the entropy and van der Waals' interaction, multi-wall carbon nanotube (MWNT) tends to aggregate. In this investigation, chemical synthesis was applied to functionalize the MWNT. MWNT was esterificated by incorporating the functional group (-COOC10H21) to reduce its aspect ratio to facilitate its dispersion in the Pbi solution. MWNT-COOC10H21 was analyzed using Fourier transform infrared, elemental analysis, Raman spectrum and thermogravimetric analysis. In the polymer light emitting devices, Pbi mixed with MWNT-COOC10H21 would decrease threshold voltage for about 2 V, and the device emission current was increased 5~10 times of magnitude than those of devices without MWNT- COOC10H21. Pbi was in-situ polymerized with acidified multi-wall carbon nanotube (MWNT- COOH) for polymer LED fabrication. The emission current of these devices was still increased 10~15 times but no threshold voltage decrease compared to those of Pbi polymer solution-mixed with MWNT-COOC10H21. The polymer LED Commission International del'Eclairage chromatic indices were about the same for Pbi mixed with MWNT-COOC10H21 or in-situ polymerized with MWNT-COOH.
15

Molecular beam electric resonance spectroscopy of CO-SO₂ and Kr-SO₂ complexes /

Cheng, Mao-Sen. January 2000 (has links)
Thesis (Ph. D.)--University of Oregon, 2000. / Typescript. Includes vita and abstract. Includes bibliographical references (leaves 110-113). Also available for download via the World Wide Web; free to University of Oregon users.
16

Molecular beam investigations of open-shell Van der Waals molecules

Mills, Paul D. A. January 1983 (has links)
Van der Waals molecules are complexes of two or more atoms or molecules bound by weak intermolecular forces rather than a conventional chemical bond. This thesis contains a high resolution molecular beam study of the rotational spectra of two such species, ArNO and NeNO. A new hamiltonian is presented to account for the spectra of these open-shell complexes. The theory is similar to that already known for the uncomplexed diatom, nitric oxide, but is modified to an asymmetric top form appropriate for these non-linear species. Two novel interactions require inclusion. The first models a slight quenching of the NO orbital angular momentum by the rare gas atoms. The second is a large centrifugal distortion associated with the effects of the bending motion on the projection of the electronic angular momentum on the complex's a-inertial axis. A comparatively rich, though incomplete, spectrum is obtained for ArNO. Most of the transitions that originate from the lower rotational states are assigned and fitted to within a few MHz using the modified open-shell hamiltonian. Possible sources are suggested for the origins of the small residual errors between the observed and calculated transition frequencies. A vibrationally-averaged structure is derived from the fitted molecular parameters indicating an equilibrium geometry which is quite close to a T-shape. The hyperfine structure in the spectrum which is associated with the <sup>14</sup> N nucleus is well fitted by the hamiltonian; however, the magnetic hyperfine parameters are significantly perturbed from the values that best fit the lambda-doubling spectrum of the uncomplexed diatom. The implications of this with respect to the nature of the rare gas-nitric oxide intermolecular interaction are discussed. Greater experimental difficulties are encountered in trying to record the radiofrequency and microwave spectrum of NeNO and so fewer transitions have been measured than for ArNO. A partial analysis yields approximate values for the structural parameters. The complex exhibits a larger deviation from the T-shaped geometry than is observed for ArNO. The spectrum also provides an estimate of the magnitude of the quenching of the orbital angular momentum. The quenching interaction is somewhat larger in the neon complex.
17

A computational investigation of the photophysical, electronic and bonding properties of exciplex-forming Van Der Waals System

Sinha, Pankaj. Omary, Mohammad A., January 2007 (has links)
Thesis (M.S.)--University of North Texas, Dec., 2007. / Title from title page display. Includes bibliographical references.
18

Parallel computations in Quantum Monte Carlo simulation of the van der Waals cluster vibrational eigenstates /

Li, Haisen. January 2004 (has links)
Thesis (Ph. D.)--University of Rhode Island, 2004. / Typescript. Includes bibliographical references (leaves 90-92).
19

Hierarchy of N-body correlations in different dimensions /

Moodley, Mervlyn. January 2003 (has links)
Thesis (Ph. D.)--University of Rhode Island, 2003. / Typescript. Includes bibliographical references (leaves 99-102).
20

X-ray structures of P22 c2 repressor-DNA complexes the mechansism of direct and indirect readout /

Watkins, Jason Derrick. January 2008 (has links)
Thesis (Ph.D)--Chemistry and Biochemistry, Georgia Institute of Technology, 2009. / Committee Chair: Loren D. Williams; Committee Member: Donald Doyle; Committee Member: Nicholas V. Hud; Committee Member: Roger Wartell; Committee Member: Stephen Harvey. Part of the SMARTech Electronic Thesis and Dissertation Collection.

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