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 411 for “"excited state"”.
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Excited State Spectroscopy of Diatomic Argon
… and $7p\sigma\ \sp3\Sigma\sbsp{g}{+}$ states, including the effective rotational constant $B\sb{e},$ which is determined to be 0.1412 cm$\sp{-1}$ and 0.1345 cm$\sp{-1}$ for the $4s\sigma\ a\ \sp3\Sigma\sbsp{u}{+}$ and $7p\sigma\ \sp3\Sigma\sbsp{g}{+}$ states, respectively. Results are …
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Reactions of Excited State Cationic Dyes
… fast electron transfer and other reactions of excited state of organic dye molecules. Therefore, a transient spectrometer with a time resolution of 36 ps was designed and built; this is described in chapter 2. In the third chapter, intersystem crossing in a cyanine dye, induced by heavy atom …
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Excited state structure of neon(2)
… the a$\sp{3}\Sigma\sbsp{\rm u}{+}$ metastable state of the neon dimer have been observed by laser excitation spectroscopy in the afterglow of a pulsed corona discharge. Most of the observed bands in the excitation spectrum in the region 25000-34400 cm$\sp{-1}$ are attributed to transitions from …
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The first excited state of positronium
Thesis (Ph.D.) Massachusetts Institute of Technology. Dept. of Physics, 1955.
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Excited-State Magnesium-Rare Gas Optical Collisions
… and intensity spectra have been obtained for excited-state magnesium (3s3p <sup>1</sup>P<sub>1</sub>) - rare gas optical collisions. The magnesium was excited by a linearly polarized laser tuned to the 3s<sup>2</sup>1s<sub>0</sub> → 3s3p <sup>1</sup>P<sub>1</sub> atomic transition at 285 nm. A …
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Excited State Dynamics of Dyes Bound to Nanocrystals
… NPs. The dye molecules absorb light, and the excited dye molecules then transfer an electron to the conduction band (CB) of the NP. These dye-NP systems are used for applications such as solar cells and photocatalysis. This thesis aims to enhance understanding of the fundamental processes …
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Determining The Excited State Properties of Novel Aryleneethynylenes
… and methods used for the determination of the excited state properties of the compounds are discussed. The preparations and excited state study of a series of thiophene–based aryle- neethynylene oligomers are reported in Chapter 3. This chapter begins with a short review of thiophene based …
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Excited state proton transfer in 2-substituted benzothiazoles
… to arrive at an understanding of the excited state behaviour of HBT and derivatives. An investigation has been made into the protonation and deprotonation of 2-phenylbenzothiazole, 2-(2'-methoxyphenyl)benzothiazole), HBT and derivatives of HBT with bromine, chlorine, hydroxy, methoxy, …
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Excited-state organic chemistry: Tuning photoprotective and photoredox properties
… divided into three sections: an overview of the state of the art in the field of photoprotection; the synthesis, design, characterization, and evaluation of the key properties of new natural-based photoprotective molecules; and the development of a novel family of sunscreens designed to mitigate …
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Excited State Chemical Dynamics: Beyond the Born-Oppenheimer Approximation
… of molecular systems in nonequilibrium, and excited electronic states using the tools of non-adiabatic molecular dynamics will be built up from the full molecular Hamiltonian and associated quantum mechanical equation of motion. This common formalism, from which all of the approximate methods …
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Excited State Spectroscopy of HgCl, HgBr, HgI, and CdI
Due to the absence of excited state absorption in the B $\gets$ X pump band, HgCl represents the best HgX candidate to produce lasing under B $\gets$ X pumping.
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The study of sodium complexes in the excited state.
Massachusetts Institute of Technology. Dept. of Physics. Thesis. 1973. B.S.
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Excited State Dynamics and Energy Transfer Studies of Aromatic Molecules
… devices. The non-radiative pathways for the excited states of benzene, a subunit of phenylethynylene, are studied using both ab initio and semi-empirical multiple spawning dynamics simulations, which solve the nuclear and electronic Schrodinger equations "on the fly". In this work, we also …
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Excited state intramolecular proton transfer (ESIPT) to nitrogen in heterocyclic compounds
Excited state intramolecular proton transfer (ESIPT) reactions have aroused considerable interest in the last 10-15 years. The ESIPT reaction is normally extremely rapid and yields excited species of considerably lower energy than the initial Franck-Condon excited state. ESIPT has therefore been …
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Development and Application of Coupled Cluster Ground- and Excited-State Models
… coupled cluster iterative-triples model, CC3, to excited states of open-shell molecules, including radicals. We define the method for both spin-unrestricted Hartree-Fock (UHF) and spin-restricted open-shell Hartree-Fock (ROHF) reference determinants and discuss its efficient implementation in the …
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Excited state charge redistribution and dynamics of flavins, flavorproteins, and their cofactors
The excited state electronic structures of several biologically important chromophores were studied by Stark spectroscopy. The extent of charge redistribution upon excitation to the lowest excited states of the oxidized and semiquinone forms of flavin adenine dinucleotide (FAD) bound to the light …
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The influence of conformational order on the excited state of organic semiconductors
In den letzten Jahrzehnten wurden im Bereich der organischen Halbleiter große Fortschritte erzielt. Während die Leuchtdiodentechnologie auf der Grundlage von organischen Materialien bereits auf dem Markt ist, muss die organische Photovoltaik noch weiter verbessert werden. Im Fokus der Forschung …
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Excited State Dynamics of Trans-Cis Photoisomerization in Photoactive Yellow Protein Chromophores
As an efficient and accurate quantum chemical method for photobiological and condensed phase applications, pseudospectral time-dependent density functional theory (PS-TDDFT) is presented, which alleviates the O(N4) scaling problem in two-electron integral calculations. For the test cases in this …
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