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Dissertations / Theses on the topic 'Excise stamps'

Author: Grafiati

Published: 30 May 2022

Last updated: 31 July 2025

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1

Кушнір, А. О. "Акцизне оподаткування та шляхи його розвитку в Україні". Thesis, Одеський національний економічний університет, 2020. http://dspace.oneu.edu.ua/jspui/handle/123456789/12574.

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У роботі розглядаються теоретичні аспекти справляння акцизного податку, а також практичні питання здійснення податкової політики держави у сфері акцизного оподаткування. Досліджено фіскальну ефективність системи справляння акцизного податку в Україні, проаналізовано динаміку, структуру та рівень виконання податкових надходжень з акцизного податку до Державного та Зведеного бюджетів за останні п’ять років, проаналізовано результати податкового контролю у сфері акцизного оподаткування України. Визначено проблемні питання формування та реалізації податкової політики у сфері акцизного оподаткува

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2

Sang, Robert Thomas, and n/a. "Superelastic Electron Scattering from Laser Excited States of Sodium." Griffith University. School of Science, 1995. http://www4.gu.edu.au:8080/adt-root/public/adt-QGU20050921.120911.

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This thesis presents the results of a series of experiments in which electrons are superelastically scattered from various laser excited states of sodium. The atoms, once in the optically prepared state, are forced to relax via the superelastic collision with an electron. The rate of detection of superelastically scattered electrons was measured as a function of the laser polarisation which enabled pseudo Stokes parameters to be determined. These pseudo Stokes parameters are functions of both optical pumping parameters and atomic collision parameters. The optical pumping parameters describe th

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3

Merdan, Mohammad Ghanim Merdan. "Study of the excited states of the quantum antiferromagnets." Thesis, University of Manchester, 2013. https://www.research.manchester.ac.uk/portal/en/theses/study-of-the-excited-states-of-the-quantum-antiferromagnets(dfd01ec6-806c-464a-9b68-910217679c3c).html.

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We investigate the quantum dynamics of the spins on different Heisenberg antiferromagnetic spin lattice systems. Firstly, we applied the coupled-cluster method to the spin-1/2 antiferromagnetic XXZ model on a square lattice by employing an approximation which contains two-body long-range correlations and high-order four-body local correlations. Improvement is found for the ground-state energy, sublattice magnetization, and the critical anisotropy when comparing with the approximation including the two-body correlations alone. We also obtain the full excitation spectrum which is in good agreeme

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4

Weragoda, Geethika K. "Excited state intramolecular proton transfer (ESIPT) and trans-cis isomerization on the triplet excited states." University of Cincinnati / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1439296134.

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5

Topçu, Türker. "Time dependent studies of fundamental atomic processes in Rydberg atoms /." Auburn, Ala., 2007. http://repo.lib.auburn.edu/07M%20Dissertations/TOPCU_TURKER_31.pdf.

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6

Loughan, Arlene M. "Above and below the Wannier threshold." Thesis, Queen's University Belfast, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.268183.

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7

Farahani, Pooria. "Theoretical Studies of Ground and Excited State Reactivity." Doctoral thesis, Uppsala universitet, Institutionen för kemi - Ångström, 2014. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-232219.

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To exemplify how theoretical chemistry can be applied to understand ground and excited state reactivity, four different chemical reactions have been modeled. The ground state chemical reactions are the simplest models in chemistry. To begin, a route to break down halomethanes through reactions with ground state cyano radical has been selected. Efficient explorations of the potential energy surfaces for these reactions have been carried out using the artificial force induced reaction algorithm. The large number of feasible pathways for reactions of this type, up to eleven, shows that these seem

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8

Mrozik, Michael Kiyoshi. "Electronic Structure Across the Periodic Table: Chemistry of the Large in Mass and the Small in Size." The Ohio State University, 2011. http://rave.ohiolink.edu/etdc/view?acc_num=osu1299078304.

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9

Greenlees, Paul Thomas. "Identification of excited states and evidence for octupole feformation in '2'2'6U." Thesis, University of Liverpool, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.367435.

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10

Malard, L. M., D. Nishide, L. G. Dias, et al. "Resonance Raman study of polyynes encapsulated in single-wall carbon nanotubes." American Physical Society, 2007. http://hdl.handle.net/2237/11303.

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11

Huix, i. Rotllant Miquel. "Noyau de corrélation amélioré pour la réponse linéaire de la théorie de la fonctionnelle de la densité dépendante du temps." Thesis, Grenoble, 2011. http://www.theses.fr/2011GRENV073/document.

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La théorie de la fonctionnelle de la densité dépendante du temps (TDDFT) est une méthode basée sur la densité pour calculer les états excités. Bien que la TDDFT soit une théorie exacte, on doit en pratique partir d'une approximation de la fonctionnelle d'échange-corrélation, qui reste inconnue. L'approximation adiabatique est l'approximation de la fonctionnelle la plus courante. Cette approximation donne de très bons résultats pour les propriétés spectroscopiques, mais elle est inexacte pour les simulations en photochimie. Dans cette thèse, on montre que l'origine du problème réside dans l'app

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12

Kimura, Akihiro. "General theory of excitation energy transfer in donor-mediator-acceptor systems." American Institite of Physics, 2009. http://hdl.handle.net/2237/12630.

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13

Okazaki, Susumu, and Atsushi Yamada. "A quantum equation of motion for chemical reaction systems on an adiabatic double-well potential surface in solution based on the framework of mixed quantum-classical molecular dynamics." AIP Publishing, 2008. http://hdl.handle.net/2237/20836.

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14

Brinne, Roos Johanna. "Reaction dynamics on highly excited states." Doctoral thesis, Stockholms universitet, Fysikum, 2009. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-27122.

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In this thesis I have performed theoretical studies on the reaction dynamics in few-atom molecules. In particular, I have looked at reaction processes in which highly excited resonant states are involved. When highly excited states are formed, the dynamics becomes complicated and approximations normally used in chemical reaction studies are no longer applicable.To calculate the potential energy curve for some of these states as a function of internuclear distance, a combination of structure calculations and scattering calculations have to be performed, and the reaction dynamics on the potentia

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15

Bhowmick, Somnath. "Theory on lower bound energy and quantum chemical study of the interaction between lithium clusters and fluorine/fluoride." Thesis, Aix-Marseille, 2015. http://www.theses.fr/2015AIXM4394.

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En chimie quantique, le principe variationnel est largement utilisé pour calculer la limite supérieure de l'énergie exacte d'un système atomique ou moléculaire. Des méthodes pour calculer la valeur limite inférieure de l'énergie existent mais sont bien moins connues. Une méthode précise pour calculer une telle limite inférieure permettrait de fournir une barre d'erreur théorique pour toute méthode de chimie quantique. Nous avons appliqué des méthodes de type variance pour calculer différentes énergies limites inférieures de l'atome d'hydrogène en utilisant des fonctions de base gaussiennes. L'

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16

Buccheri, Alexander. "Modelling the optical properties of semiconducting nanostructures." Thesis, University of Oxford, 2016. https://ora.ox.ac.uk/objects/uuid:67d66b15-c5b1-4bb1-806c-6cc22d0eb482.

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In this thesis we describe the development of a real-space implementation of the Bethe-Salpeter equation (BSE) and use it in conjunction with a semi-empirical tight-binding model to investigate the optoelectronic properties of colloidal quantum- confined nanostructures. This novel implementation exploits the limited radial extent and small size of the atomic orbital basis to treat finite systems containing up to &Tilde;4000 atoms in a fully many-body framework. In the first part of this thesis our tight-binding model is initially benchmarked on zincblende CdSe nanocrystals, before subsequently

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17

Patrick, Christopher Edward. "Photoemission spectra of nanostructured solar cell interfaces from first principles." Thesis, University of Oxford, 2013. http://ora.ox.ac.uk/objects/uuid:fa2333ea-7016-4d6f-8d55-aee4178482a6.

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Photovoltaic (PV) technologies could provide abundant, clean and secure energy through the conversion of sunlight into electricity, but currently are too expensive to compete with conventional sources of power. Novel PV devices incorporating nanostructured materials, such as the dye-sensitized solar cell (DSC), have been identified as viable, low-cost alternatives to traditional solar cell designs. In spite of technological progress in the field over the last twenty years, the underlying physics governing DSC operation is still not well understood. In this thesis, first-principles (i.e. parame

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18

Muro, Maria Luisa. "Platinum(II) Terpyridyls: Excited State Engineering and Solid-State Vapochromic/Vapoluminescent Materials." Bowling Green State University / OhioLINK, 2009. http://rave.ohiolink.edu/etdc/view?acc_num=bgsu1242057662.

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19

Bohl, Elvira. "Investigating excited electronic states in fullerenes and polycyclic aromatic hydrocarbons using Femtosecond Laser Photoelectron spectrometry." Thesis, University of Edinburgh, 2016. http://hdl.handle.net/1842/25979.

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Fullerenes have highly excited electronic states with interesting properties for possible wide ranging applications including in electronics. These highly excited, Rydberg-like states, so-called superatom molecular orbitals (SAMOs), are diffuse low-angular momenta states with molecular orbitals centred on the hollow fullerene core. The SAMOs can be detected by femtosecond photoelectron spectroscopy (PES) and characterised by photoelectron angular distributions (PADs) combined with time-dependent density functional theory (TD-DFT) calculations. The photoelectron spectra of C60 and C70 show a pe

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20

Hilaire, Stéphane. "Calculs microscopiques des densités de niveaux nucléaires avec la force de Gogny." Grenoble INPG, 1997. http://www.theses.fr/1997INPG0056.

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Une methode combinatoire pour le calcul des densites de niveaux particules-trous et totales est presentee dans le cadre du modele general a particules independantes. Les modes collectifs de rotation et de vibration peuvent etre pris en compte ou ignores, ce qui respectivement conduit aux notions de densites effectives et intrinseques. On applique tout d'abord notre approche dans le cas ou les niveaux individuels du modele sont equidistants. Une nouvelle formule analytique pour les densites de niveaux particules-trous intrinseques est alors etablie. Cette expression fournit des resultats en par

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21

Bhowmick, Somnath. "Theory on lower bound energy and quantum chemical study of the interaction between lithium clusters and fluorine/fluoride." Electronic Thesis or Diss., Aix-Marseille, 2015. http://www.theses.fr/2015AIXM4394.

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En chimie quantique, le principe variationnel est largement utilisé pour calculer la limite supérieure de l'énergie exacte d'un système atomique ou moléculaire. Des méthodes pour calculer la valeur limite inférieure de l'énergie existent mais sont bien moins connues. Une méthode précise pour calculer une telle limite inférieure permettrait de fournir une barre d'erreur théorique pour toute méthode de chimie quantique. Nous avons appliqué des méthodes de type variance pour calculer différentes énergies limites inférieures de l'atome d'hydrogène en utilisant des fonctions de base gaussiennes. L'

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22

PASTORE, Mariachiara. "Multireference Perturbation Theories for the accurate calculation of energy and molecular properties." Doctoral thesis, Università degli studi di Ferrara, 2009. http://hdl.handle.net/11392/2388724.

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This Ph.D. thesis deals with the development and the applications of N-Electron Valence State Perturbation Theory (NEVPT), a novel form of Multireference Perturbation Theory (MRPT) put forward in collaboration between the theoretical chemistry groups of the uni- versities of Ferrara and Toulouse. A review of the NEVPT approach is presented, starting from the original second order state–specific formulation, going through the quasidegenerate multi–state extension and arriving at the implementations of the third order in the energy and of the internally contracted configuration interaction

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23

Morinière, Maxime. "Formalismes et méthodes pour le calcul de la réponse linéaire des systèmes isolés." Thesis, Université Grenoble Alpes (ComUE), 2016. http://www.theses.fr/2016GREAY096/document.

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La réponse linéaire de la théorie de la fonctionnelle de la densité dépendante du temps est étudiée dans le cadre du formalisme d'ondelettes du code BigDFT, qui permet d'exprimer les fonctions d'onde électroniques sur une grille de simulation dans l'espace réel. L'objectif est de déterminer un spectre d'excitations de référence pour un système et un potentiel d'échange-corrélation donnés.Il apparaît que seule une partie du spectre, concernant les transitions entre orbitales liées, peut être facilement amenée à convergence par rapport aux paramètres d'entrée de BigDFT, que sont l'extension de l

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24

Seccombe, Dominic Paul. "The nature of the excited states of some non metal halides and their cations." Thesis, University of Birmingham, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.368455.

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25

Vogler, Lisa M. "Tuning the ground and excited state properties of a series of polymetallic tridentate complexes incorporating Ru(II) or Os(II) as the chromophore." Diss., This resource online, 1995. http://scholar.lib.vt.edu/theses/available/etd-06062008-163702/.

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26

Fortenberry, Ryan Clifton. "Theoretical Prediction of Electronically Excited States and Vibrational Frequencies of Interstellar and Planetary Radicals, Anions, and Cations." Diss., Virginia Tech, 2012. http://hdl.handle.net/10919/26329.

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In the search for molecular species in the interstellar medium and extraterrestrial planetary atmospheres, theoretical methods continue to be an invaluable tool to astronomically minded chemists. Using state-of-the art methods, this doctoral work characterizes the electronically excited states of interstellar radicals, cations, and even rare anions and also predicts the gas phase fundamental vibrational frequencies of the cis and trans-HOCO radicals, as well as the cis-HOCO anion. First, open-shell coupled cluster methods of singles and doubles (CCSD) and singles and doubles with triples-inclu

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27

Rüger, Robert, Lenthe Erik van, Thomas Heine, and Lucas Visscher. "Tight-binding approximations to time-dependent density functional theory: A fast approach for the calculation of electronically excited states." AIP Publishing, 2016. https://ul.qucosa.de/id/qucosa%3A21501.

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We propose a new method of calculating electronically excited states that combines a density functional theory based ground state calculation with a linear response treatment that employs approximations used in the time-dependent density functional based tight binding (TD-DFTB) approach. The new method termed time-dependent density functional theory TD-DFT+TB does not rely on the DFTB parametrization and is therefore applicable to systems involving all combinations of elements. We show that the new method yields UV/Vis absorption spectra that are in excellent agreement with computationally muc

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28

Pouliot, Catherine. "The Effect of an 8-Week Aerobic Exercise Program on the Diet and Eating Behaviours of Adolescents with a Normal Weight and Excess Body Weight." Thesis, Université d'Ottawa / University of Ottawa, 2018. http://hdl.handle.net/10393/38101.

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29

Ciro, Guido. "TD-DFT and TD-DFT/PCM approaches to molecular electronic excited states in gas phase and in solution." Doctoral thesis, Scuola Normale Superiore, 2011. http://hdl.handle.net/11384/85797.

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30

Ball, Pamilla J. "Investigations of the Electronic Structure and Excited State Processes of Tansition Metal Complexes with Polypyridyl and Schiff Base Ligans." University of Cincinnati / OhioLINK, 2005. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1128805318.

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31

Wang, Jin. "Ultrafast studies of reactive intermediates." Columbus, Ohio : Ohio State University, 2007. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1196155202.

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32

GENEZINI, FREDERICO A. "Estudo da estrutura nuclear do sup(155)Eu." reponame:Repositório Institucional do IPEN, 2004. http://repositorio.ipen.br:8080/xmlui/handle/123456789/11238.

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33

Junior, Mauro Fernando Soares Ribeiro. "Cálculos de estrutura eletrônica de materiais e nanoestruturas com inclusão de autoenergia: Método LDA - 1/2." Universidade de São Paulo, 2011. http://www.teses.usp.br/teses/disponiveis/43/43134/tde-02052012-132110/.

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Neste trabalho, utilizamos o desenvolvimento recente do método DFT/LDA-1/2 para cálculos de estados excitados em materiais. Começamos com um resumo da teoria do funcional da densidade (DFT) e incluímos uma introdução ao método LDA-1/2 para cálculos de excitações em sólidos. Na compilação dos resultados esperamos ter demonstrado a utilidade do LDA-1/2 para cálculos de alinhamentos de bandas em junções semicondutor/semicondutor e semicondutor/isolante. A aplicação do método envolve o conhecimento da química básica dos sistemas. Para tanto, escolhemos sistemas importantes para diversas aplicações

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Greiner, Charlene E. "An analysis of the excess cost of educating military connected handicapped children in the Hampton Roads area of Virginia." Diss., Virginia Polytechnic Institute and State University, 1987. http://hdl.handle.net/10919/76100.

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All branches of the military service have humanitarian transfer policies which require that consideration be given to the special educational and medical needs of dependent family members during the reassignment process. These policies may result in certain school districts serving a disproportionate number of military-connected handicapped children. Despite the federal financial assistance received by LEAs under P.L. 94-142 (Education for All Handicapped Children Act) and P.L. 81-874 (School Assistance for Federally Affected Areas) the presence of these children may create a fiscal burden on

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35

Curry, Richard James. "Luminescence characterisation of aluminium and erbium tris (8-hydroxyquinoline)." Thesis, Queen Mary, University of London, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.312173.

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PEREIRA, William. "Estudos cin?ticos de isatina e algumas cetonas arom?ticas frente a novas fosforilidrazonas." Universidade Federal Rural do Rio de Janeiro, 2009. https://tede.ufrrj.br/jspui/handle/jspui/1439.

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Submitted by Jorge Silva (jorgelmsilva@ufrrj.br) on 2017-02-15T17:02:45Z No. of bitstreams: 1 2009 - William Pereira.pdf: 3794972 bytes, checksum: 64fbf9758bbf44329031caf3b369b79a (MD5)<br>Made available in DSpace on 2017-02-15T17:02:45Z (GMT). No. of bitstreams: 1 2009 - William Pereira.pdf: 3794972 bytes, checksum: 64fbf9758bbf44329031caf3b369b79a (MD5) Previous issue date: 2009-10-22<br>CAPES<br>The present study has two specific phases: Early, was studied the isathine irradiation with the presence of diisopropil-phosphoril-dimethylidrazone (diisopfh), in chloroform, at room temperatu

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CAMPOS, MARIA C. A. "Espalhamento inelastico de eletrons no sup(12) C." reponame:Repositório Institucional do IPEN, 2001. http://repositorio.ipen.br:8080/xmlui/handle/123456789/10947.

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Alías, Rodríguez Marc. "Beyond the static description of the electronic structure:Excited state dynamics in transition metal complexes and organic compounds." Doctoral thesis, Universitat Rovira i Virgili, 2021. http://hdl.handle.net/10803/671956.

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La descripció dels estats excitats és important per racionalitzar processis que succeeixen després d'irradiar amb llum un material. La comprensió d'aquests estats és una eina fonamental per modificar aquests materials i emprar-los en diferents funcions. En estudis previs en el nostre grup, la descripció d'aquests estats fou limitada a càlculs estàtics d'estructura electrònica. En la tesis actual, hem anat un pas més enllà al descriure aquests processos des d'un punt de vista dinàmic pel que hem utilitzat tres mètodes. El primer d'ells ha estat la versió depenent del temps de la regla daur

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Racine, Julien. "Etats VB excités avec et sans Hamiltonien." Thesis, Aix-Marseille, 2016. http://www.theses.fr/2016AIXM4336.

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Un très grand nombre de représentations a été proposé pour modéliser la liaison chimique, mais les structures de Lewis en particulier sont largement utilisées par la communauté des chimistes expérimentateurs. Les méthodes théoriques se développant sur des structures chimiques claires de type Lewis sont essentiellement utilisées pour la description des états fondamentaux. Par ailleurs, la majorité des chimistes théoriciens utilise des orbitales moléculaires pour décrire les état excités, et manque ainsi de lisibilité. Les états excités sont difficiles à prédire, il convient donc d’utiliser un l

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40

Brites, Vincent. "Détermination ab initio de potentiels électroniques pour le calcul de données spectroscopiques." Thesis, Paris Est, 2010. http://www.theses.fr/2010PEST1052.

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La structure et la spectroscopie de molécules d'intérêt astrophysique ont été étudiées par des méthodes de calcul électronique ab initio hautement corrélées. Notre démarche a tout d'abord été d'étudier des systèmes allant de deux à quatre atomes, afin de voir l'influence du niveau de calcul électronique utilisé lors de la détermination de données comparables aux résultats expérimentaux. Ainsi, l'étude de la spectroscopie des états électroniques de la molécule AlCl a été entreprise. Les résultats obtenus pour ce système reproduisent parfaitement les mesures expérimentales existantes tout en int

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41

Rosam, Ben. "Intraband Dynamics in the Optically Excited Wannier-Stark Ladder Spectrum of Semiconductor Superlattices." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2005. http://nbn-resolving.de/urn:nbn:de:swb:14-1122486920194-75406.

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In semiconductor superlattices, the carrier band structure can be tailored by the proper choice of their geometry. Therefore, superlattices are a model system for the study of coherent high-field transport phenomena in a periodic potential with applied static electric field. This thesis is structured in two parts. I. Zener Tunneling in Semiconductor Superlattices. In this work,semiconductor superlattices with shallow barriers and narrow band gaps were employed to investigate the Zener breakdown. In these samples, tunneling in the electron Wannier-Stark ladder spectrum is addressed as coupling

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42

Véry, Thibaut. "Simulation de propriétés photophysiques de complexes de ruthénium en interaction avec l'ADN." Thesis, Université de Lorraine, 2012. http://www.theses.fr/2012LORR0232/document.

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Les molécules se trouvent très rarement isolées, ceci implique qu'une modélisation de leur environnement doit être faite lors du calcul de propriétés physiques ou chimiques. Il est possible de considérer l'environnement par plusieurs méthodes de chimie théorique. Le modèle du continuum polarisable est un exemple dont les premières applications ont maintenant plus de 30 ans. Ce modèle permet de reproduire l'influence d'un solvant mais n'est pas capable de représenter des milieux fortement anisotropes tels que les macro-molécules. Afin de représenter de tels environnements, des méthodes couplant

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Cho, Hyung Min. "A full-dimensional quantum Monte Carlo study of H5O2+." Connect to this title online, 2004. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1085048780.

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Thesis (Ph. D.)--Ohio State University, 2004.<br>Title from first page of PDF file. Document formatted into pages; contains xii, 88 p.; also includes graphics (some col.). Includes bibliographical references (p. 83-88). Available online via OhioLINK's ETD Center

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Rosam, Ben. "Intraband Dynamics in the Optically Excited Wannier-Stark Ladder Spectrum of Semiconductor Superlattices." Doctoral thesis, Technische Universität Dresden, 2004. https://tud.qucosa.de/id/qucosa%3A24547.

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In semiconductor superlattices, the carrier band structure can be tailored by the proper choice of their geometry. Therefore, superlattices are a model system for the study of coherent high-field transport phenomena in a periodic potential with applied static electric field. This thesis is structured in two parts. I. Zener Tunneling in Semiconductor Superlattices. In this work,semiconductor superlattices with shallow barriers and narrow band gaps were employed to investigate the Zener breakdown. In these samples, tunneling in the electron Wannier-Stark ladder spectrum is addressed as coupling

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Etienne, Thibaud. "Développement et application de stratégies d’étude théorique de propriétés remarquables relatives aux états excités moléculaires." Thesis, Université de Lorraine, 2015. http://www.theses.fr/2015LORR0097/document.

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L’exploitation de méthodes théoriques dans le cadre de la modélisation de propriétés moléculaires remarquables s’est substantiellement développée lors des dernières décennies, notamment grâce au progrès des technologies informatiques qui rendent désormais accessibles certaines informations cruciales à nos recherches grâce au calcul intensif. Il est maintenant possible d’évaluer des propriétés et de résoudre des problèmes théoriques de haut niveau grâce aux ressources calculatoires actuelles. Dans ce cadre, la caractérisation par la mécanique quantique des états excités moléculaires constitue t

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Karlsson, Daniel. "Photochemistry of Phenyl Halides." Doctoral thesis, Uppsala universitet, Institutionen för fotokemi och molekylärvetenskap, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-8602.

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We have studied fundamental aspects of photo-induced dissociation kinetics and dynamics in several phenyl halides. By combining femtosecond pump-probe measurements with ab initio calculations we are able to account for several observations. In mixed phenyl halides, the dissociation kinetics is found to be dependent on the nature, the number, and the position of the substituents, and also on the excitation wavelength. A surprisingly large reduction in the dissociation time constant, compared to that of bromobenzene (~30 ps), is observed when having two or more fluorine atoms. For example, in br

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Perry, Michael D. "Value aided satellite altimetry data for weapon presets." Thesis, Monterey, Calif. : Springfield, Va. : Naval Postgraduate School ; Available from National Technical Information Service, 2003. http://library.nps.navy.mil/uhtbin/hyperion-image/03Jun%5FPerry.pdf.

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Maschietto, Federica. "Une approche théorique à la photochimie moléculaire basées sur la densité pour l'étude de propriétés remarquables relatives aux états excités moléculaires." Thesis, Paris Sciences et Lettres (ComUE), 2019. http://www.theses.fr/2019PSLEC032.

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Voire annexe description en englais<br>This thesis focuses on devising, constructing, and applying cost-effective approaches to calculate the photophysical propertiesof molecular systems in the context of time-dependent density functional theory (TDDFT). The objective of our workis to define a set of purposely-derived density descriptors that can be combined to provide a straightforward interpretationof the relevant photophysical pathways for the many processes taking place at the excited state. More specifically,we deliver a collection of TDDFT-based computational protocols, based on the know

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Morrison, Adrian Franklin. "An Efficient Method for Computing Excited State Properties of Extended Molecular Aggregates Based on an Ab-Initio Exciton Model." The Ohio State University, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=osu1509730158943602.

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Opoku-Agyeman, Bernice. "Complexities in Nonadiabatic Dynamics of Small Molecular Anions." The Ohio State University, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=osu1503094708588515.

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