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Dissertations / Theses on the topic 'CHARMM'

Author: Grafiati

Published: 4 June 2021

Last updated: 25 July 2025

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1

Painter, Gallia Marie. "Multiscale Modeling of Polymer Bond Scission." Case Western Reserve University School of Graduate Studies / OhioLINK, 2009. http://rave.ohiolink.edu/etdc/view?acc_num=case1247171422.

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2

Cisse, Cheickna. "Etude structurale des aptamères peptidiques anti-Fur et de leur interaction avec leur cible." Phd thesis, Université de Grenoble, 2012. http://tel.archives-ouvertes.fr/tel-00846781.

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Fur (Ferric Uptake Regulator) est un régulateur transcriptionnel spécifique des bactéries qui intervient dans le contrôle de l'homéostasie du fer, ce qui en fait une cible antibactérienne intéressante. Avant mon arrivée au laboratoire, quatre inhibiteurs interagissant spécifiquement avec Fur avaient été isolés. La partie active de ces inhibiteurs consiste en des peptides de 13 acides aminés. Au cours de cette thèse, j'ai utilisé une double-approche : théorique et expérimentale pour étudier l'interaction de ces peptides avec Fur afin de comprendre le mécanisme d'inhibition. J'ai synthétisé plus

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3

Åkesson, Patrik. "Molecular Dynamics of the Adsorption of Organic Molecules on Organic Substrates." Thesis, Linköpings universitet, Institutionen för fysik, kemi och biologi, 2013. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-103688.

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A great interest has been shown for self-assembled organic nano-structures that can be used in a variety of optoelectronic applications, from element detection to home electronics. It is known from experimental research that sexiphenyl (6P) grown on muscovite mica substrate form uniaxially self-assembled nanofibers which together with sexithiophene (6T) deposited on top gives the possibility to tune their polarized emission. A key to continue develop and explore the full potential of this technique is to understand the mechanisms behind the growth. This thesis investigate the initial growth of

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4

Smith, Addison Kyle. "Molecular Dynamic Simulation of Protein Devices and the Parameterization of Azides and Alkynes for Use in Unnatural Amino Acid Models." BYU ScholarsArchive, 2021. https://scholarsarchive.byu.edu/etd/8783.

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Proteins that have been modified by attaching them to a surface or to a polyethylene glycol (PEG) molecule can see many uses in therapeutics and diagnostics -- these unique proteins are called protein devices. Current techniques can perform these functionalizations at a specific residue on the protein, but what remains is identifying what happens to protein structure when mutated, and where to perform the attachment. Both of these issues can be examined using molecular dynamic (MD) simulations. Currently, simulations of the unnatural amino acid (uAA) mutations necessary for protein device func

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5

Sawert, David, Holmes Oskar Anderhagen, and Aron Johanson. "Analys av Organiska Molekyler i Mikroskopiska Vattendroppar." Thesis, Uppsala universitet, Molekyl- och kondenserade materiens fysik, 2020. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-415316.

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The aim of the study was to analyse where different organic molecules situated themselves in relation to the water surface of a water microdroplet and use the resulting data to compare three different forcefields in the simulation package GROMACS. The forcefields used were: General AMBER forcefield (GAFF), Optimized potentials for liquid simulations - all atoms (OPLS-AA), and CHARMM general force field (CGenFF). A library of 146 molecules were simulated using molecular dynamics. Out of the 146 molecules only 65 resulted in useful data for the comparison of the forcefields. The molecules were p

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6

Godfrey, I. M. "Charm photoproduction at threshold and 20 GeV charmed particle delay." Thesis, Imperial College London, 1987. http://hdl.handle.net/10044/1/38332.

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7

Magneville, Christophe. "Étude de la photoproduction du charme, désintégrations et temps de vie du méson charmé-étrange." Paris 11, 1987. http://www.theses.fr/1987PA112358.

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8

Davis, Adam C. "Search for Mixing and Charge Parity Violation in Neutral Charm Mesons through Semileptonic B Meson Decay." University of Cincinnati / OhioLINK, 2016. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1470671480.

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9

Debu, Pascal. "Résultats de l'expérience Beam Dump réalisée au CERN en 1982." Paris 11, 1985. http://www.theses.fr/1985PA112138.

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Nous décrivons la mesure des taux d’interactions à courant chargé dans le fer des νμ, ν̅μ et (ν̅e) d’énergie supérieure à 20 Gev dans le détecteur de la collaboration CHDS au CERN. Ces neutrinos ont été produits lors du déversement de protons de 400 Gev/c sur des cibles de cuivre de densités différentes (« beam dump 1982 »). En extrapolant les mesures à une cible de densité infinie, nous déterminons les taux d’interactions des neutrinos directs (i. E. Produits soit directement, soit lors de la désintégration de particules à très courte durée de vie). Ils sont tous significativement différents

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10

Tran, Ngoc Tiem. "Recherche des oscillations de neutrinos par apparition du τ avec désintégration muonique du vτ dans l’expérience OPERA". Thesis, Lyon 1, 2010. http://www.theses.fr/2010LYO10203/document.

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La physique des oscillations de neutrinos occupe une place majeure dans les études s’intéressant à cetteparticule. Le mécanisme des oscillations, basé sur un changement d’état de saveur d’un neutrino durant sapropagation, permet d’élucider les déficits observés de neutrinos solaires et atmosphériques et apporte des indicationsintéressantes de physique au delà du Modèle Standard par l'étude des angles de mélanges et du schéma de masse desneutrinos.OPERA est un détecteur hybride combinant à la fois latechnique d'une détection électronique en temps réel et la technique de la chambre à brouillard

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11

Cóvacich, Daniel Souza. "Production of open charm and double open charm at LHCb." Thesis, University of Bristol, 2016. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.702306.

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12

Fisher, Rebecca. "Writing charms : the transmission and performance of charms in Anglo-Saxon England." Thesis, University of Sheffield, 2011. http://etheses.whiterose.ac.uk/14572/.

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This is a study of two groups of Anglo-Saxon charms: six charms for remedying theft; and six charms intended to staunch bleeding. The aim of this study is to build up a picture of the life of these charms and their recording, use, performance and transmission by examining the contents and manuscript context of the charms. I argue that by modifying methodologies presented in previous scholarship, it is possible to develop a new approach to Anglo-Saxon charms, enabling the scholar to reconstruct the ways in which an Anglo-Saxon might have recorded, transmitted and performed charms. I suggest tha

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13

Martins, António Ernesto de Deus. "Reabilitação da Quinta da Graça para “Hotel de Charme”. Contributo para uma metodologia." Master's thesis, Faculdade de Arquitectura de Lisboa, 2010. http://hdl.handle.net/10400.5/2899.

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Tese de Mestrado em Arquitectura<br>A reabilitação engloba conceitos tão diversos como o passado, tradição, modernidade, genius loci e o futuro. Assenta em princípios de conservação integrada e funciona como um instrumento que contribui para o desenvolvimento sustentável da sociedade. É objectivo desta dissertação analisar a viabilidade de reabilitação da Quinta da Graça (quinta de recreio) para Hotel de Charme. Fez-se a revisão da literatura com o propósito de responder a questões associadas à reabilitação, ao modo como se reabilitam quintas de recreio e foram abordadas as questões relativas

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14

Kalinin, Sergey. "Charm studies in emulsion." Université catholique de Louvain, 2006. http://edoc.bib.ucl.ac.be:81/ETD-db/collection/available/BelnUcetd-05302006-191314/.

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Neutrino-nucleon scattering is an effective way to investigate the inner structure of the nucleon, to extract the Standard Model parameters and to explore heavy quarks production dynamics. In the last decades, several experiments have been constructed to study weak interactions of neutrinos with nucleons. One of them was CERN-WA95 experiment operated by the CHORUS collaboration. It is based on a hybrid detector with nuclear emulsion as a target followed by electronic devices. Nuclear emulsion provides three dimensional spatial information with an outstanding resolution of the order of one micr

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15

Mahdaly, Ahdab Hashim. "Towards an old charm." Thesis, Virginia Tech, 2011. http://hdl.handle.net/10919/33388.

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16

Debastiani, Vinícius Rodrigues. "Espectroscopia do Todo-Charme Tetraquark." Universidade de São Paulo, 2016. http://www.teses.usp.br/teses/disponiveis/43/43134/tde-08072016-001417/.

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Introduzimos um método não-relativístico para estudar a espectroscopia de estados ligados hadrônicos compostos por quatro quarks charme, na figura de diquark-antidiquark. Resolvendo numericamente a equação de Schrödinger com dois potenciais diferentes inspirados no potencial de Cornell, de uma maneira semelhante aos modelos de quarkonium pesado para mésons, nós fatoramos o problema de 4 corpos em três sistemas de 2 corpos: primeiro o diquark e o antidiquark, que são compostos por dois quarks (antiquarks) em um estado de antitripleto de cor. No próximo passo eles são considerados como os blocos

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17

Schagen, Sven Edmond Simon. "Charm in the proton an analysis of charm production in deep inelastic scattering /." [S.l. : Amsterdam : s.n.] ; Universiteit van Amsterdam [Host], 2004. http://dare.uva.nl/document/72854.

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18

Edwards, Adam Jacob. "A study of double-charm and charm-strange baryons in electron-positron annihilations /." May be available electronically:, 2007. http://proquest.umi.com/login?COPT=REJTPTU1MTUmSU5UPTAmVkVSPTI=&clientId=12498.

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19

Vilain, Pierre. "Les Courants neutres et les particules charmée en physique du neutrino." Doctoral thesis, Universite Libre de Bruxelles, 2005. http://hdl.handle.net/2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/210933.

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20

Smith, Joshua Dee. "Verifying Molecular Dynamics Using Dielectric Spectroscopy." BYU ScholarsArchive, 2014. https://scholarsarchive.byu.edu/etd/4221.

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The electrical properties of proteins in solution are important for their structure and function. Computational biophysics studies of proteins need accurate parameters to ensure that numerical simulations match physical reality. Past work in this eld has compared the electrical properties of proteins obtained from dielectric spectroscopy to numerical simulations of proteins in water with adjustment of pKa values to try to capture the inevitable changes in electrical conformation that will occur in a complex structure such as a folded protein. However, fundamental veri cation of the charge para

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21

Ghoddoussi, Farhad. "Topics in charm meson decays." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk2/ftp04/mq21165.pdf.

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22

Nylander, Paul Andrew. "Open charm photoproduction at Zeus /." The Ohio State University, 1999. http://rave.ohiolink.edu/etdc/view?acc_num=osu1488190109869004.

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23

Tan, Ewe Hong. "Effets des interactions polymère - charge et charge - charge sur les propriétés dynamiques." Mulhouse, 1992. http://www.theses.fr/1992MULH0230.

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Le but de cette thèse était d'étudier, à différents taux de charge, l'influence d'une série de noirs de carbone commerciaux, d'une silice précipitée, ainsi que de la même silice modifiée au hexadécyltriéthoxysilane, sur le comportement hystérétique de mélanges standards à base de caoutchouc de butadiène - styrène et de caoutchouc naturel. Les paramètres E prime et tangente delta ont servi de critères d'évaluation. L'examen du module dynamique E prime révèle que l'équation de Guth-Gold modifiée ne peut plus être appliquée au-delà d'un certain taux de charge, ce qui est dû à la formation d'un ré

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24

Kochebina, Olga. "Study of Rare Charm Decays with the LHCb Detector at CERN." Thesis, Paris 11, 2014. http://www.theses.fr/2014PA112208/document.

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Les désintégrations charmées rares interviennent principalement via des courants neutres changeant la saveur (FCNC). Le Modèle Standard (SM) n'autorise les courants qu'au niveau des boucles. Dans les désintégrations du charme, les FCNC sont sujets à une très efficace suppression de GIM. Des processus très rares sont donc à considérer. Ils sont d'excellents outils pour la recherche Nouvelle Physique (NP) au-delà du SM. Les particules de NP pourraient devenir détectables en écartant des observables telles que des rapports de branchement et des asymétries CP et angulaires prévisions de le SM. Le

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25

Teuscher, Richard John. "Charm and charm-strange hadron production in ep collisions at HERA as probes of confinement." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk3/ftp04/nq28069.pdf.

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26

Charaf, Eddin Azzam. "Theoretical study of the stability and the mobility of noble gas atoms in silicon and silicon carbide." Poitiers, 2011. http://theses.univ-poitiers.fr/9742/2011-Charaf-Eddin-Azzam-These.pdf.

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Les propriétés d'un atome de gaz noble (He, Ne, Ar, Kr, Xe) en interaction avec une matrice de silicium ou de carbure de silicium cubique ont été déterminées à l'aide de simulations numériques ab initio et d'une technique de recherche des points cols, afin de mieux comprendre les premiers stades de la formation de défauts étendus de type bulle dans ces matériaux. Nous avons ainsi obtenu les configurations les plus stables et leurs énergies de formation, de type interstitiel dans un cristal parfait et de type complexe en présence de monolacunes et de bilacunes. Dans un second temps, nos simulat

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27

Couderc, Fabrice. "Etude de la production de charme dans les désintégrations des mésons beaux avec l'expérience BABAR." Phd thesis, Chambéry, 2005. http://www.theses.fr/2005CHAMS011.

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L'expérience BABAR, située à SLAC (Stanford, Californie), étudie depuis 1999 les désintégrations des mésons B produits dans des collisions électron positron à une énergie dans le centre de masse égale à la masse de la résonance γ( 4S). L'identification des particules chargées dans cette expérience utilise pour partie la me- sure de la perte d'énergie par unité de longueur dans la chambre à dérive. Afin d'améliorer la calibration de cette quantité, une sélection d'électrons/positrons à partir d'événements Bhabha radiatifs a été développée, elle a permis de réduire l'asymétrie de charge dans la

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28

Beaudet, Sylvie. "Réactions de transfert de charge en phase gazeuse : charge-stripping et inversion de charge /." [S.l.] : [s.n.], 1993. http://library.epfl.ch/theses/?display=detail&nr=1140.

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29

Pettinger, Alasdair. "Irresistible charms : African religion and colonial discourse." Thesis, University of Essex, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.328351.

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30

Haas, Benjamin. "QCD sur réseau et physique du charme." Paris 11, 2009. http://www.theses.fr/2009PA112359.

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Dans cette thèse, nous présentons les résultats des études sur les propriétés de la physique du charme sur le réseau. Nous utilisons des configurations unquenched et une action de quark de type Wilson (Wilson-clove et Wilson twisted). Nous avons étudié la désintégration du meson D* et calculés la valeur du couplage hadronique g_{D* D\pi}$$ et du couplage $$g_{D^\ast D\gamma}$$. Nous avons également étudiés la désintégration leptonic et semilleptonic du méson Ds. Nous avons pu contraindre les éléments $$\vert V_{cd}\vert$$ et $$\vert V_{cs} \vert$$ de la matrice CKM<br>Ln this thesis, we presen

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31

Padhi, Sanjay. "Charm jets in photoproduction at HERA." Thesis, McGill University, 2003. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=84305.

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Charm Jets in photoproduction have been studied in electron-proton collisions with the ZEUS detector at HERA, using an integrated luminosity of 120 pb-1. Jets were reconstructed using the longitudinally invariant kT-clustering algorithm. The dijet cross section for events containing at least one D*+/- charmed meson was measured as a function of various observables sensitive to hard scattering and the structure of the photon. The results are compared with predictions from leading-order parton-shower Monte Carlo simulations and with next-to-leading-order QCD calculations.<br>Differential

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32

Sutton, Mark Robert. "Charm in dijet photoproduction at HERA." Thesis, University College London (University of London), 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.314378.

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33

Dujmić, Denis. "Open charm production at HERA-B." Access restricted to users with UT Austin EID Full text (PDF) from UMI/Dissertation Abstracts International, 2001. http://wwwlib.umi.com/cr/utexas/fullcit?p3036594.

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34

Liu, Chuan. "Charge transport and charge transfer at organic semiconductor heterojunctions." Thesis, University of Cambridge, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.611516.

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35

Gustafsson, Andreas. "Shaped Charge Design : Construction of a Miniaturized Shaped Charge." Thesis, Karlstads universitet, Fakulteten för hälsa, natur- och teknikvetenskap (from 2013), 2021. http://urn.kb.se/resolve?urn=urn:nbn:se:kau:diva-85465.

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The shaped charges on the market today ranges from about 20 to 200 mm in diameter but there is a need of smaller sizes for example in applications where a small projectile with a high speed is needed or to equip or take out drones with. The objective of this thesis work was to develop a miniaturized shaped charge with dimensions smaller than those available today and preferably with a diameter down to 10 mm. The project was conducted at Karlstad University in collaboration with Saab Dynamics AB. The process used during this project was to start with a feasibility study to obtain information ab

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36

Zilch, Lloyd W. "Image charge detection and image charge detection mass spectrometry." [Bloomington, Ind.] : Indiana University, 2008. http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqdiss&rft_dat=xri:pqdiss:3344616.

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Thesis (Ph. D.)--Indiana University, Dept. of Chemistry, 2008.<br>Title from home page (viewed Oct. 8, 2009). Source: Dissertation Abstracts International, Volume: 70-02, Section: B, page: 0994. Adviser: Martin F. Jarrold.

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37

Gomes, Thulio Pereira Dias. "A charge é o assunto: análise documentária de charge." Universidade Federal do Rio de Janeiro / Insitituto Brasileiro de Informação em Ciência e Tecnologia, 2015. http://ridi.ibict.br/handle/123456789/809.

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Submitted by Priscilla Araujo (priscilla@ibict.br) on 2016-04-05T18:26:24Z No. of bitstreams: 2 license_rdf: 19874 bytes, checksum: 38cb62ef53e6f513db2fb7e337df6485 (MD5) A_charge_e_o_assunto_analise_documentari.pdf: 31372055 bytes, checksum: e748e7004bbb490f2e2d355eafbaf457 (MD5)<br>Made available in DSpace on 2016-04-05T18:26:26Z (GMT). No. of bitstreams: 2 license_rdf: 19874 bytes, checksum: 38cb62ef53e6f513db2fb7e337df6485 (MD5) A_charge_e_o_assunto_analise_documentari.pdf: 31372055 bytes, checksum: e748e7004bbb490f2e2d355eafbaf457 (MD5) Previous issue date: 2015-03-31<br>Esta diss

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Arthur, Ciaran. "The liturgy of 'charms' in Anglo-Saxon England." Thesis, University of Kent, 2016. https://kar.kent.ac.uk/54689/.

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This thesis undertakes a re-evaluation of the concept of ‘charms’ in Anglo-Saxon culture, and reconsiders three core issues that lie at the heart of this genre: the definition of galdor as ‘charm’; the manuscript contexts of rituals that have been included in this genre; and the phenomenon of ‘gibberish’ writing which is used as a defining characteristic of ‘charms’. The thesis investigates the different meanings of galdor from the entire corpus of Old English before reconsidering its meaning in ritual texts. It then explores the liturgical nature of these seemingly unorthodox rituals, and arg

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Peshier, André, O. P. Pavlenko, G. Soff, and Burkhard Kämpfer. "Parton kinetics for strangeness and charm production." Forschungszentrum Dresden, 2010. http://nbn-resolving.de/urn:nbn:de:bsz:d120-qucosa-32183.

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40

Inguglia, Gianluca. "Time-dependent CP violation in charm mesons." Thesis, Queen Mary, University of London, 2014. http://qmro.qmul.ac.uk/xmlui/handle/123456789/8296.

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CP violation is a well established phenomenon for B and K mesons, but for D0 mesons, bound states made up of a quark-antiquark pair containing a charm quark, a conclusive answer to the question whether there is CP vio- lation or not, has yet to be determined. I show here the phenomenology of time-dependent CP asymmetries in charm decays, and discuss the implica- tions of experimental tests aimed at the measurement of CP violation in the interference between mixing and decays of charm mesons, in particular when studying the decay channels D0 ! h+h (h = K; ). The decay channels considered can al

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41

Peshier, André, O. P. Pavlenko, G. Soff, and Burkhard Kämpfer. "Parton kinetics for strangeness and charm production." Forschungszentrum Rossendorf, 1995. https://hzdr.qucosa.de/id/qucosa%3A22044.

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42

Greening, Edward. "Rare and challenging charm decays at LHCb." Thesis, University of Oxford, 2014. http://ora.ox.ac.uk/objects/uuid:0f960d89-76a1-4222-9d11-922fd7516339.

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This thesis presents two studies of charged charm meson decays using proton- proton collision data, corresponding to an integrated luminosity of 3 fb<sup>−1</sup>, recorded by the LHCb experiment. A search for D<sub>(s)</sub><sup>+</sup> → π<sup>+</sup>μ<sup>+</sup>μ<sup>-</sup> decays is performed. Rare decays of charged charm mesons have not previously been observed unlike their counterpart B meson and kaon decays. Such decays are c → u quark transitions and take place via loop diagrams within the Standard Model. Measurements of their branching fractions are

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43

Kaneko, K., H. Semi, T. Mizutani, T. Mori, and M. Ishioka. "Charge Transport and Space Charge Formation in Low-Density Polyethylene." IEEE, 2000. http://hdl.handle.net/2237/7177.

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44

Emicente, S��nchez Elba Irma. "Charla con luz." Thesis, Universidad de las Am��ricas Puebla, 2011. http://catarina.udlap.mx/u_dl_a/tales/documentos/lda/emicente_s_ei/.

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45

Mohideen, Mohamed Farhaan. "Charge transfer process." Thesis, Staffordshire University, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.246022.

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46

Matthews, James. "Charge-reversible surfaces." Thesis, University of Oxford, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.269324.

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47

Rodrigues, Denzil Anthony. "Superconducting charge qubits." Thesis, University of Bristol, 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.396688.

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48

Hérin, Claire. "La charge tutélaire." Thesis, Normandie, 2017. http://www.theses.fr/2017NORMC004.

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Afin de protéger efficacement les personnes vulnérables et conformément au principe de nécessité, le législateur a mis en place divers régimes de protection.Ces régimes diffèrent en fonction de la personne protégée, laquelle peut être soit un mineur soit un majeur. Ils se distinguent également au regard du degré d'altération des facultés personnelles du majeur et du besoin de protection juridique.Il existe ainsi une diversité technique permettant de s'adapter à chaque situation et répondant à la nécessité d'une protection individualisée.Malgré cette diversité, les dispositifs de protection obé

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49

Bonato, Alessia <1990&gt. "IL REVERSE CHARGE." Master's Degree Thesis, Università Ca' Foscari Venezia, 2015. http://hdl.handle.net/10579/7321.

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La tesi tratta del meccanismo del reverse charge quale strumento per combattere le frodi nell'imposta sul valore aggiunto.Dopo aver illustrato le principali caratteristiche dell'Iva,nel presente elaborato vengono descritti vantaggi e svantaggi del meccanismo di inversione contabile, il suo ambito applicativo e il rapporto esistente con altri strumenti antifrode.

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Fonari, Alexandr. "Theoretical description of charge-transport and charge-generation parameters in single-component and bimolecular charge-transfer organic semiconductors." Diss., Georgia Institute of Technology, 2015. http://hdl.handle.net/1853/54323.

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Abstract:

In this dissertation, we employ a number of computational methods, including Ab Initio, Density Functional Theory, and Molecular Dynamics simulations to investigate key microscopic parameters that govern charge-transport and charge-generation in single-component and bimolecular charge-transfer organic semiconductors. First, electronic (transfer integrals, bandwidths, effective masses) and electron-phonon couplings of single-component organic semiconductors are discussed. In particular, we evaluate microscopic charge-transport parameters in a series of nonlinear acenes with extended pi-conjuga

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