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The performance of the non-iterative and iterative triples corrected EOMIP-CCSD in characterizing stationary points of excited state potential energy surfacesSaeh, Jamal Carlos 28 August 2008 (has links)
Not available / text
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Development and implementation of high accuracy coupled cluster methods for ground and excited state : applications to thermochemistry and spectroscopysBomble, Yannick, 1978- 10 August 2011 (has links)
Not available / text
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A study of the decay of some excited states of atomic hydrogenGoodman, Allan Stephen, 1942- January 1966 (has links)
No description available.
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N-methyl-6-hydroxyquinolinium : an investigation into the spectroscopy and applications of excited-state proton transfer /Salvitti, Michael Anthony January 2008 (has links)
Thesis (M. S.)--Chemistry and Biochemistry, Georgia Institute of Technology, 2009. / Committee Chair: Tolbert, Laren; Committee Member: Bunz, Uwe; Committee Member: Payne, Christine
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The performance of the non-iterative and iterative triples corrected EOMIP-CCSD in characterizing stationary points of excited state potential energy surfacesSaeh, Jamal Carlos. January 2002 (has links) (PDF)
Thesis (Ph. D.)--University of Texas at Austin, 2002. / Vita. Includes bibliographical references. Available also from UMI Company.
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Development and implementation of high accuracy coupled cluster methods for ground and excited states applications to thermochemistry and spectroscopy /Bomble, Yannick, January 1900 (has links)
Thesis (Ph. D.)--University of Texas at Austin, 2006. / Vita. Includes bibliographical references and index.
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Resonance raman excitation study of monomeric and dimeric chlorophyll a in solution.Thibodeau, Daniele L., Carleton University. Dissertation. Chemistry. January 1988 (has links)
Thesis (Ph. D.)--Carleton University, 1988. / Also available in electronic format on the Internet.
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Local Structure and Dynamics of Exciton-Coupled Cyanine Dimers Labeled in DNAKringle, Loni 06 September 2018 (has links)
Understanding the properties of electronically interacting molecular chromophores, which involve internally coupled electronic-vibrational motions, is important to the spectroscopy of many biological systems. Here we apply linear absorption, circular dichroism, and two-dimensional fluorescence spectroscopy to study the local structure and excited state dynamics of excitonically coupled cyanine dimers that are rigidly positioned within the sugar-phosphate backbones of the DNA. Dimer probes were positioned within the double-stranded DNA duplex and at the single-strand/double-stranded DNA junction to examine the positional dependence of the structural variation and fluctuations. We interpret spectroscopic measurements in terms of the Holstein vibronic dimer model, from which we obtain information about the local conformation of the dimer probe locally within their respective DNA environments. We show that the exciton-coupling strength of the dimer-DNA construct can be systematically varied with temperature below the double-stranded – single-strand DNA denaturation transition. Using time-resolve 2DFS measurements we observed long lived vibronic coherences in the system. The properties of the cyanine DNA construct we determine suggest that it may be employed as a useful model system to test fundamental concepts of protein DNA interactions and the role of electronic-vibrational coherence in electronic energy migration within exciton-coupled biomolecular arrays.
This dissertation contains previously published and unpublished co-authored material.
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Estudo dos estados excitados IND.C * IND.C produzidos hadronicamente. / Study of excited states \'C\' \' *C\' by hadronic production.Monique Kamla Moura Srivastava 19 December 2000 (has links)
A experiência E781/SELEX acumulou um total de 1 bilhão de eventos de trígger charmoso em fita utilizando um feixe secundário de POT.-/ POT.- de 600 GeV/c e um de próton de 500 GeV/c, ambos a partir do feixe de prótons de 800 GeV/c gerado pelo Tevatron no Fermilab. Aqueles incidiram em alvos de cobre e carbono com o objetivo de estudar a produção e o decaimento de estados charmosos. Neste trabalho estudamos os estados POT. ++0 IND.C(2455) c++/- e POT. ++0* IND.C (2520) POT.+ IND. C POT. +/- a partir dos dados da E781 tomados durante o período de Dezembro de 1996 até Setembro de 1997. Obtivemos as medidas de massa e largura para dos báríons IND.C e * IND.C com valores: M IND. c++ M IND. c+ = 167.5 ± 0.5 ± 0.2MeV/c2, M IND. c POT.0 -- M IND. c+ = 167.9 ± 0.7 ± 1.2 MeV/c2, M IND. c++* M IND. c+ = 237.4 ± 4.9 ± 3.1MeV/c2, M IND. c POT.0* -- M IND. c+ = 232.6 ± 1.7 ± 1.3 MeV/c2, M IND. c++- = 16.2 ± 7.8 ± 5.5MeV e M IND. c POT.0* = 9.1 ± 6.0 ± 6.2MeV. Fizemos também o estudo de hadroprodução destes estados medindo o parâmetro que caracteriza a distribuição em x IND.f. OS valores obtidos são: n IND. c++ = 2.57 ± 0.57 ± 0,45, n IND. c POT.0 = 1.37 ± 0,27 ± 0.43, n IND. c++ = 2,13 ± 0,26 ± 0,61, n IND. c POT.0- =2.05 ± 0,35 ± 0,80. / The experiment E781/SELEX collected a total of 1 billion charm trígger events ou tape using a 600 GeV/c -/ and a 500 GeV/c proton secondary beams, both from the 800 GeV/c proton beam delivered by the Fermilab Tevatron, Those beams reached the copper and carbon targets. The main goal was to study charm hadron production and decays. This work is dedicated to study the c++/0(2455) c++/- e c (++/0)*(2520) c++/- states from the E781 data obtained from December 1996 to September 1997. We obtained the mass and width values for the c and c* bárions as: M c++ M c+ = 167.5 ± 0.5 ± 0.2MeV/c2, M c0 -- M c+ = 167.9 ± 0.7 ± 1.2 MeV/c2, M c++* M c+ = 237.4 ± 4.9 ± 3.1MeV/c2, M c0* -- M c+ = 232.6 ± 1.7 ± 1.3 MeV/c2, M c++- = 16.2 ± 7.8 ± 5.5MeV e M c0* = 9.1 ± 6.0 ± 6.2MeV. We also studied the hadroproduction for those states measuring the paramenter that characterizes the xf distribution. The values obtained are: n c++ = 2.57 ± 0.57 ± 0,45, n c0 = 1.37 ± 0,27 ± 0.43, n c++- = 2,13 ± 0,26 ± 0,61, n c0- =2.05 ± 0,35 ± 0,80.
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Theoretical Studies on Electronic Excited States of Transition Metal Complexes: Explanation and Understanding Based on Molecular Geometries and Electronic Structures / 遷移金属錯体の励起状態に関する理論的研究:分子構造と電子状態に基づいた説明と理解Saito, Ken 24 September 2012 (has links)
Kyoto University (京都大学) / 0048 / 新制・課程博士 / 博士(工学) / 甲第17162号 / 工博第3652号 / 新制||工||1555(附属図書館) / 29901 / 京都大学大学院工学研究科分子工学専攻 / (主査)教授 佐藤 啓文, 教授 横尾 俊信, 教授 梶 弘典 / 学位規則第4条第1項該当
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