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 314 for “"excited-states"”.
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Excited states of chromophores and vibronic interactions
… radical and there use in determining the excited state geometry of the methyl rotor next to a radical center. Chapter 6 discusses ab-initio simulations of the phenylcyanomethyl molecule and explores the vibrational envelope following the D<em>0</em> → D<sub>1</sub> transition. Finally, …
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Alpha decay of excited states of carbon-12
A crystal of the carbon-rich phosphor, anthracene, has been bombarded by monoenergetic fast neutrons. Alpha-particle decays of carbon nuclei have been separated from other events by a specialised application of the pulse shape discrimination technique. A numerical analysis of the data has yielded …
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Weak interactions and excited states from Coulomb-attenuated DFT
… to the description of weak interactions and excited states. Chapter 3 considers some key problems facing modern DFT—dispersion, fractional spins and fractional charges—in terms of the force and the Feynman electron density distortion, in addition to the conventional viewpoint of the energy. …
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Apparatus for the lifetime measurement of Samarium excited states
This thesis describes the construction of the apparatus for the measurement of the lifetime of the 9F1 level of Samarium by the Hanle effect ... A technique known as Optogalvanic spectroscopy was used to calibrate the laser wavelength ... A new method for the detection of the atomic beam of some …
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Effects of Anion Excited States on Photodetachment of Negative Ions
<p>In this dissertation, effects of anion excited states on photodetachment of negative ions containing transition metals will be presented. Evidence of autodetachment (sudden change in photodetachment cross section and photoelectron agular distribution) is observed for diatomic …
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Partial Radiative Recombination Cross Sections for Excited States of Hydrogen
… these regions permit recombination into highly excited states and the "effective size" of the atom is not much less than the wavelength of the emitted photon. These physical conditions do not meet the requirements for making the dipole approximation. A higher order approximation is to keep an …
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Gamma-ray spectroscopy of excited states in ¹⁷⁷Hf and ¹⁸²W
Thesis (M.S.)--Michigan State University. Dept. of Chemistry, 1974
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Quartic Force Fields for Electronically Excited States of Interstellar Molecules
… to variationally inaccessible electronically excited states is presented herein using equation-of-motion (EOM) coupled cluster theory. The new EOM-based QFF is tested against the traditional QFF method using the isoformyl (HOC) radical’s variationally accessible 1 A” excited state and compared …
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The Electronic Excited States of Green Fluorescent Protein Chromophore Models
… of quantum chemical approximations to the excited states of model chromophores of the green fluorescent protein of A. victoria. We calculate several low-lying states by several methods of quantum chemical calculation, including state-averaged complete active space SCF (CASSCF) methods, time …
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Spectroscopic Studies of Excited States in Carbene-Metal-Amide Emitters
… and time-resolved spectroscopic methods to study excited-state properties in a range of CMA materials. First, using single-atom donor substitutions, we show that energies of multiple states can be simultaneously shifted. We find that these shifts can be qualitatively rationalized from a …
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Challenging systems for quantum chemistry : inorganic excited states and intermolecular aggregates
… systems for computational chemistry: inorganic excited states and intermolecular aggregates. Excited states of inorganic systems can be extremely challenging for conventional methods of quantum chemistry, mostly due to strong correlation, degeneracy and near-degeneracy problems, in addition to a …
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Lifetimes of Excited States in Alkali-Halide Crystals Containing F-Centers
Made available in DSpace on 2015-05-12T17:12:31Z (GMT). No. of bitstreams: 2 license.txt: 4848 bytes, checksum: 96035ab3f5e1c23cc7138a224ce498bd (MD5) 6302924.PDF: 4052441 bytes, checksum: a5654db56170e5f0f09a9a9ccad1236d (MD5) Previous issue date: 1962
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Highly excited states of atomic potassium in an external electric field
… polarization dependence of the quasi-bound Stark states lying above E = O. The results are interpreted as the first observation of electric field enhanced collisional depolarization by charged particles. This conclusion is supported by calculations indicating a depolarizing cross section as large …
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Theoretical studies on the properties and dynamics of electronic excited states
Molecules are rarely found in electronic excited states under standard conditions but such states play a major role in chemical reactions. Computational prediction of properties of such states is hard with standard DFT protocols, as made evident by the failure of linear response TDDFT in predicting …
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On The Nature Of Excited States In Ruthenium Complexes: Towards Renewable Energy
… on metal-to-ligand-charge-transfer (3MLCT) excited state properties and how metal-centered (3MC) excited states affect the properties of potential ruthenium photosensitizers.The radiative rate of relaxation (kRAD) determines the maximum possible excited state lifetime when all other …
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