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Dissertations / Theses on the topic 'Quantum Molecular Resonance'

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1

Jones, Nicholas. "Quantum molecular dynamics and molecular interactions studied by NMR and INS." Thesis, University of Nottingham, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.251791.

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2

Debenham, Peter Mark. "Molecular rotation in the quantum and classical regions." Thesis, University of Nottingham, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.284053.

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3

Kaminski, Danielle. "Electron spin resonance of molecular magnets for quantum information processing." Thesis, University of Oxford, 2015. https://ora.ox.ac.uk/objects/uuid:f6f50d1d-dea8-48ce-973f-370a0173ba02.

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Quantum information processors have been shown theoretically to outperform their classical counterparts at certain tasks. They comprise two level systems, which can exist in an arbitrary superposition of states: qubits. A strong candidate qubit is the molecular nanomagnet (MNM). In this thesis, electron spin resonance is used to explore the potential of Cr7M based MNMs as elements of a quantum information processor. We explore the possibility and effect of replacing H atoms with D or a halogen atom in a S = 1/2 Cr7Ni ring. Decoherence mechanisms in the resulting compounds are found to be domin
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4

Samsonov, Sergey A., Stephan Theisgen, Thomas Riemer, Daniel Huster, and M. Teresa Pisabarro. "Glycosaminoglycan Monosaccharide Blocks Analysis by Quantum Mechanics, Molecular Dynamics, and Nuclear Magnetic Resonance." Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2014. http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-147183.

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Glycosaminoglycans (GAGs) play an important role in many biological processes in the extracellular matrix. In a theoretical approach, structures of monosaccharide building blocks of natural GAGs and their sulfated derivatives were optimized by a B3LYP6311ppdd//B3LYP/ 6-31+G(d) method. The dependence of the observed conformational properties on the applied methodology is described. NMR chemical shifts and proton-proton spin-spin coupling constants were calculated using the GIAO approach and analyzed in terms of the method's accuracy and sensitivity towards the influence of sulfation, O1-methyla
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5

Sella, Sabrina. "In vitro analysis of Quantum Molecular Resonance effects on human mesenchymal stromal cells." Doctoral thesis, Università degli studi di Padova, 2016. http://hdl.handle.net/11577/3425307.

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Effects of high frequency electromagnetic fields and electric currents on biological systems, in particular concerning stem cells, are not extensively studied. Medical devices based on Quantum Molecular Resonance (QMR) technology are actually used in clinical practice for the treatment of musculoskeletal disorders and post-surgical articulation conditions. QMR is a new technology based on the quantum theory and assumes that a quantum value of energy exists for breaking every type of molecular bond without any increase of temperature. QMR produces waves at high frequencies (4-64 MHz) and low in
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6

Rival, Olivier. "Organic materials for quantum computation." Thesis, University of Oxford, 2009. http://ora.ox.ac.uk/objects/uuid:3674b9ce-c284-47b5-ab0d-76d094c849f0.

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Quantum mechanics has a long history of helping computer science. For a long time, it provided help only at the hardware level by giving a better understanding of the properties of matter and thus allowing the design of ever smaller and ever more efficient components. For the last few decades, much research has been dedicated to finding whether one can change computer science even more radically by using the principles of quantum mechanics at both the hardware and algorithm levels. This field of research called Quantum Information Processing (QIP) has rapidly seen interesting theoretical devel
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7

Shim, Sangwoo. "Quantum Dynamics in Biological Systems." Thesis, Harvard University, 2012. http://dissertations.umi.com/gsas.harvard:10125.

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In the first part of this dissertation, recent efforts to understand quantum mechanical effects in biological systems are discussed. Especially, long-lived quantum coherences observed during the electronic energy transfer process in the Fenna-Matthews-Olson complex at physiological condition are studied extensively using theories of open quantum systems. In addition to the usual master equation based approaches, the effect of the protein structure is investigated in atomistic detail through the combined application of quantum chemistry and molecular dynamics simulations. To evaluate the therma
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8

Wegner, David Karl. "Förster Resonance Energy Transfer from Terbium Complexes to Quantum Dots for Multiplexed Homogeneous Immunoassays and Molecular Rulers." Thesis, Paris 11, 2015. http://www.theses.fr/2015PA112109/document.

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Le transfert d'énergie par résonance de type Förster (FRET) est un transfert d'énergie non radiatif d'un donneur à un accepteur à proximité. En raison de sa dépendance de la distance extrêmement sensible entre env. 1 et 20 nm, FRET joue un rôle important dans la nanobiotechnologie. Ainsi FRET peut être utilisé comme système de transduction du signal, mais aussi pour l'estimation de la distance entre le donneur et l'accepteur.Les accepteurs de FRET utilisés dans ce travail étaient des nanocristaux semi-conducteurs (quantum dots, QD). Ce type de luminophore est bien connu pour ses propriétés pho
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9

Ntadambanya, Audrey. "development of quantum dot based fret (förster resonance energy transfer) nanosensors for molecular interactions in focal adhesions." Electronic Thesis or Diss., université Paris-Saclay, 2024. http://www.theses.fr/2024UPAST172.

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La compréhension des mécanismes d'assemblage et de désassemblage des structures macromoléculaires dans les cellules repose sur le décryptage des interactions biomoléculaires. Cependant, ces interactions ne sont souvent pas bien élucidées du fait que les outils permettant de suivre les dynamiques moléculaires ne sont pas suffisamment résolus dans le temps ou l'espace.Au cours de cette thèse, je me suis intéressée aux interactions biomoléculaires qui ont lieu au sein des adhésions focales (AF). Ce sont des structures multiprotéiques hautement organisées qui relient le cytosquelette et la matrice
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10

Mirijanian, James Julian. "Techniques to Characterize Vapor Cell Performance for a Nuclear-Magnetic-Resonance Gyroscope." DigitalCommons@CalPoly, 2012. https://digitalcommons.calpoly.edu/theses/724.

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Research was performed to improve the procedures for testing performance parameters of vapor cells for a nuclear-magnetic-resonance gyroscope. In addition to summarizing the theoretical infrastructure of the technology, this research resulted in the development and successful implementation of new techniques to characterize gyro cell performance. One of the most important parameters to measure for gyro performance is the longitudinal spin lifetime of polarized xenon atoms in the vapor cell. The newly implemented technique for measuring these lifetimes matches results from the industry standard
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11

Kaiser, John Michael. "New probes of spin physics and correlation in solid-state NMR." Diss., [Riverside, Calif.] : University of California, Riverside, 2009. http://proquest.umi.com/pqdweb?index=0&did=1899476631&SrchMode=2&sid=3&Fmt=2&VInst=PROD&VType=PQD&RQT=309&VName=PQD&TS=1269285773&clientId=48051.

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Thesis (Ph. D.)--University of California, Riverside, 2009.<br>Includes abstract. Available via ProQuest Digital Dissertations. Title from first page of PDF file (viewed March 10, 2010). Includes bibliographical references. Also issued in print.
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12

Nerdi, Thomas. "Towards the Formation of the Antihydrogen Molecular Ion." Thesis, Stockholms universitet, Fysikum, 2020. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-185626.

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The ALPHA experiment at CERN is an ongoing project which tests fundamental symmetries between matter and antimatter by producing and trapping antihydrogen atoms in order to perform precision spectroscopic measurements. A logical next step is to form the antihydrogen molecular ion (consisting of one positron and two antiprotons). This system possesses net charge, and can therefore be trapped electrostatically, making repeated measurements possible. Moreover it has been suggested that the molecule has the potential to allow for higher-precision comparisons with ordinary matter than have been att
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13

Bradshaw, David S. "Quantum electrodynamical analysis of nonlinear optical effects deriving from the laser irradiation of molecular systems : resonance energy transfer and optomechanical forces." Thesis, University of East Anglia, 2005. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.426673.

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14

Viger-Gravel, Jasmine. "Characterization of Halogen Bonds with Multinuclear Magnetic Resonance in the Solid-State, X-ray Crystallography, and Quantum Chemical Calculations." Thesis, Université d'Ottawa / University of Ottawa, 2015. http://hdl.handle.net/10393/32851.

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Solid-state nuclear magnetic resonance (SSNMR) has proven to be a useful tool in the characterization of non-covalent interactions such as hydrogen bonding and cation-π interactions. In recent years, the scientific community has manifested a renewed interest towards an important class of non-covalent interaction, halogen bonding (XB), as it has applications in various fields such as crystal engineering and biological processes. This dissertation demonstrates that NMR parameters measured in the solid state are sensitive to changes in electronic structure, which are caused by halogen bonds.
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15

Urban, Jeffry Todd. "Nuclear magnetic resonance studies of quadrupolar nuclei and dipolar field effects." Berkeley, Calif. : Oak Ridge, Tenn. : Lawrence Berkeley National Laboratory ; distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy, 2004. http://www.osti.gov/servlets/purl/836811-joXo6p/native/.

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Thesis (Ph.D.); Submitted to the University of California, Berkeley, CA (US); 21 Dec 2004.<br>Published through the Information Bridge: DOE Scientific and Technical Information. "LBNL--56768" Urban, Jeffry Todd. USDOE Director. Office of Science. Office of Basic Energy Sciences (US) 12/21/2004. Report is also available in paper and microfiche from NTIS.
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16

Brown, Richard Matthew. "Coherent transfer between electron and nuclear spin qubits and their decoherence properties." Thesis, University of Oxford, 2012. http://ora.ox.ac.uk/objects/uuid:21e043b7-3b72-44d7-8095-74308a6827dd.

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Conventional computing faces a huge technical challenge as traditional transistors will soon reach their size limitations. This will halt progress in reaching faster processing speeds and to overcome this problem, require an entirely new approach. Quantum computing (QC) is a natural solution offering a route to miniaturisation by, for example, storing information in electron or nuclear spin states, whilst harnessing the power of quantum physics to perform certain calculations exponentially faster than its classical counterpart. However, QCs face many difficulties, such as, protecting the quantum-
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17

Makrides, Constantinos. "Quantum Theory of Atomic and Molecular Structures and Interactions." University of Toledo / OhioLINK, 2014. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1404484126.

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18

Hicke, Christian. "Nonlinear resonant phenomena in multilevel quantum systems." Diss., Connect to online resource - MSU authorized users, 2008.

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Thesis (Ph.D.)--Michigan State University. Dept. of Physics and Astronomy, 2008.<br>Title from PDF t.p. (viewed on Apr. 3, 2009) Includes bibliographical references (p. 130-134). Also issued in print.
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19

Andersson, Mauritz. "Quantum Dynamics of Molecular Systems and Guided Matter Waves." Doctoral thesis, Uppsala : Acta Universitatis Upsaliensis : Univ.-bibl. [distributör], 2001. http://publications.uu.se/theses/91-554-5169-1/.

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20

Engdahl, Erik. "Computation of resonance energies and spectral densities in the complex energy plane : application of complex scaling techniques for atoms, molecules and surfaces /." Uppsala : Uppsala Universitet, 1988. http://bibpurl.oclc.org/web/32938.

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21

Rolon, Soto Juan Enrique. "Coherent Exciton Phenomena in Quantum Dot Molecules." Ohio University / OhioLINK, 2011. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1314742055.

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22

Reis, Firmino Thiago Diamond. "The quantum dynamics of the diffusion of dissociatively adsorbed diatomic molecules." Phd thesis, Université de Strasbourg, 2014. http://tel.archives-ouvertes.fr/tel-01070646.

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The work carried out during this thesis focuses on the quantum dynamics of the diffusion of hydrogen atoms on a surface of palladium (111). The study of the 3D system allowed us to detail the infrared spectrum of H/Pd (111), showing the existence of different adsorption sites on which localized states exist that are strongly coupled (Fermi resonance). This phenomenon governs the diffusion of hydrogen atoms in an ultra-fast time scale (fs).The study of the (6D) H2/Pd(111) system has shown that the transitions observed are in fact transition bands between several quasi-degenerate adsorption stat
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23

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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24

Lapert, Marc. "Développement de nouvelles techniques de contrôle optimal en dynamique quantique : de la Résonance Magnétique Nucléaire à la physique moléculaire." Phd thesis, Université de Bourgogne, 2011. http://tel.archives-ouvertes.fr/tel-00728830.

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L'objectif de cette thèse est d'appliquer la théorie du contrôle optimal à la dynamique de systèmes quantiques. Le premier point consiste à introduire dans le domaine du contrôle quantique des outils de contrôle optimal initialement développés en mathématique. Cette approche a ensuite été appliquée sur différent types de systèmes quantiques décrit par une grande ou une petite dimension. La première partie du manuscrit introduit les différents outils de contrôles utilisés avec une approche adaptée à un public de physiciens. Dans la seconde partie, ces techniques sont utilisées pour contrôler la
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25

Michaille, Laurent. "Étude des états vibrationnels très excités de la molécule CS2 : dynamique non linéaire et corrélations spectrales." Université Joseph Fourier (Grenoble ; 1971-2015), 1998. http://www.theses.fr/1998GRE10009.

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Pour les etats de vibration tres excites de certaines molecules, l'attribution en termes des nombres quantiques usuels n'est plus valable. Dans cs#2, les modes d'elongation symetrique et de pliage sont fortement couples par une resonance non lineaire de fermi. Au moins a basse energie le mode d'elongation antisymetrique reste faiblement couple par des anharmonicites. La dynamique quantique, classique et semiclassique de ce modele tres important en physique moleculaire est etudie en detail. Il est montre comment les bifurcations successives des orbites periodiques permettent de rendre compte de
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26

Liu, Quan. "Enhanced Emission of a Single Quantum Emitter Coupled to a Microcavity and a Nanocavity." Thesis, Troyes, 2021. http://www.theses.fr/2021TROY0029.

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Le développement de techniques basées sur une seule molécule au cours des dernières décennies a permis de sélectionner, de suivre et de mesurer directement une molécule individuelle. Dans cette thèse, la dynamique structurelle d'un seul émetteur quantique, servi par l'hypéricine, est caractérisée. En utilisant la microscopie à balayage confocale combinée à des modes laser polarisés radialement / azimutalement, une réorientation tridimensionnelle du moment dipolaire de transition d'une seule molécule est observée. Pour quantifier les propriétés temporelles de la tautomérie, la fonction d'autoco
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27

Ring, Hubertus. "Régularité et chaos : étude de la molécule de disulfure de carbone (CS2) par spectroscopie de fluorescence et double résonance infrarouge-ultraviolet." Université Joseph Fourier (Grenoble), 1997. http://www.theses.fr/1997GRE10075.

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Depuis la mise en evidence de la transition vers le chaos vibrationnel dans l'etat electronique fondamental de la molecule de bisulfure de carbone, il semblait impossible d'attribuer des niveaux vibrationnels situes au dessus de cette limite. Grace a une excitation plus selective, des progressions regulieres et identifiables ont ete observees jusqu'a tres haute energie, avant l'apparition d'un regime plus perturbe, par la methode de spectroscopie de fluorescence dispersee induite par laser. Les progres experimentaux reposent entre autres sur l'utilisation d'un nouveau laser cu/hbr comme laser
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28

Ohm, Thorsten. "Effet tunnel quantique de l'aimantation dans un aimant moleculaire, Fe8." Université Joseph Fourier (Grenoble), 1998. http://www.theses.fr/1998GRE10187.

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Nous avons étudié les retournements d'aimantation par effet tunnel quantique dans des aimants moléculaires. Nos expériences montrent clairement l'effet tunnel quantique dans l'aimant moléculaire Fe8. Ce système se compose d'un ensemble d'aimants nanoscopiques identiques et orientes parallèlement. Chacune des molécules porte un spin s = 10. Les mesures de relaxation sont faites en utilisant des magnétomètres à squid aux performances uniques. Ces magnétomètres permettent des mesures de haute sensibilité en champ fort, jusqu'a 8 tesla, et aux très basses températures (>50 mK). A haute température
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29

Papoular, David. "Manipulation des interactions dans les gaz quantiques : approche théorique." Phd thesis, Université Paris Sud - Paris XI, 2011. http://tel.archives-ouvertes.fr/tel-00624682.

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Les interactions entre particules dans les gaz quantiques ultrafroids peuvent être contrôlées à l'aide de résonances de Fano-Feshbach. Ces résonances de diffusion se produisent lors de collisions à basse énergie entre deux atomes et sont généralement obtenues à l'aide d'un champ magnétique statique externe. Elles font des gaz atomiques ultrafroids un terrain d'exploration pour la recherche de nouvelles phases dans lesquelles la physique quantique joue un rôle clef.Le travail présenté dans ce mémoire s'inscrit dans le cadre de la recherche de telles phases.Ce manuscrit comporte deux parties. La
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30

Guillon, Grégoire. "Etude théorique de collisions inélastiques intervenant dans les domaines de la chimie froide et de l’astrochimie : applications au refroidissement et au piégeage moléculaire." Thesis, Bordeaux 1, 2009. http://www.theses.fr/2009BOR13795/document.

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Cette thèse, motivée par le développement récent des techniques d’obtention de molécules froides, présente une étude théorique assez complète du système collisionnel ionique 3,4He + N2+. La relaxation rotationnelle de l’ion moléculaire a été décrite dans les régimes froid et ultrafroid, pour lesquels l’interaction spin-rotation du radical paramagnétique joue un rôle crucial. L’apparition de nouvelles résonances spécifiques de cette interaction a été analysée. Un autre phénomène directement lié à cette interaction, celui de la réorientation du moment magnétique associé au spin électronique du d
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31

"DNA-quantum dot molecular opto-electronic switch with combined Förster resonance energy transfer and photovoltaic effect for accurate DNA recognition." 2008. http://library.cuhk.edu.hk/record=b5896846.

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Qi, Huijie = 用于脫氧核糖核酸分子精确识别的Förster共振能量转移与光电压效应相结合的DNA-量子点分子光电开关 / 齐慧杰.<br>Thesis (M.Phil.)--Chinese University of Hong Kong, 2008.<br>Includes bibliographical references.<br>Abstracts in English and Chinese.<br>Qi, Huijie = Yong yu tuo yang he tang he suan fen zi jing que shi bie de Förster gong zhen neng liang zhuan yi yu guang dian ya xiao ying xiang jie he de DNA-liang zi dian fen zi guang dian kai guan / Qi Huijie.<br>Abstract --- p.i<br>Acknowledgements --- p.iv<br>Table of contents --- p.v<br>List of Figures --- p.ix<br>List of Tables --- p.xiii<br>Chapter Chapter 1 --- Introductio
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32

Krupová, Monika. "Studium komplexů lanthanoidů pomocí spektroskopických metod." Master's thesis, 2014. http://www.nusl.cz/ntk/nusl-341382.

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Studies of Lanthanide Complexes by a Combination of Spectroscopic Methods Monika Krupová (Department of Physical and Macromoecular Chemistry, Faculty of Science, Charles University in Prague) Since conventional structural analysis offers rather limited means for the chirality detection, a series of lanthanide tris-(β-diketonates) are investigated as effective receptors for a better chirality sensing in biomolecular substrates. These lanthanide complexes containing β-diketonate ligands are electrically neutral; they can further coordinate with various small organic molecules such as chiral alco
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33

Segnorile, Héctor Hugo. "Estudio de la evolución de las coherencias y procesos irreversibles en un sistema observado bajo bajo la influencia de la red, utilizando técnicas de RMN de protones en cristales líquidos nemáticos /." Doctoral thesis, 2010. http://hdl.handle.net/11086/143.

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Tesis (Doctor en Física)--Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física, 2010.<br>En este trabajo se estudia, bajo un tratamiento cuántico completo, la dinámica de la interacción entre un sistema observado con otro no-observado (y no-controlado), con un enfoque de sistema cuántico abierto. El aporte original consiste en mantener esta visión en toda la escala temporal del operador de evolución. Esto brinda una clara distinción y comprensión de los procesos de dinámica Liouvilliana aislada, decoherencia cuántica adiabática, decoherencia cuántica y relajación. Esto
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34

Jachymski, Krzysztof. "Quantum control of collisional properties of ultracold atoms and molecules." Doctoral thesis, 2015. https://depotuw.ceon.pl/handle/item/1128.

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The main subject of the present thesis is theoretical description of cold and ultracold collisions of atoms and molecules. Its most important goal is to develop a possibly simple model capable of capturing the underlying physics in a wide range of systems. This includes ultracold chemical reactions, collisions affected by one or more Feshbach resonances and scattering taking place in tight traps of various shape. Quantum defect theory provides an ideal framework for constructing such a general model. A brief introduction to the latest achievements in the physics of ultracold atomic and molecu
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35

Nguyen, Thuy Thi Ha. "Förster resonance energy transfer (FRET) as an optical readout for transcription factor-DNA binding in biosensing applications." Thesis, 2019. https://hdl.handle.net/2144/36021.

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An alternative molecular recognition approach was developed for sensing small molecule analytes using the differential binding of an allosteric transcription factor (TF, specifically TetR) to its cognate DNA as the molecular recognition element coupled with Förster resonance energy transfer (FRET) to yield an internally calibrated optical signal transduction mechanism. Sensors were evaluated comprising Cy5-modified DNA (FRET acceptor) with either a tdTomato-TetR fusion protein (FP-TF) or quantum dot-TetR conjugate (QD-TF) as the FRET donor by measuring the ratio of acceptor and donor fluoresce
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Terrett, Richard Norman Leslie. "Computational Investigation of the Oxygen Evolving Complex of Photosystem II and Related Models via Density Functional Theory." Phd thesis, 2017. http://hdl.handle.net/1885/133592.

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The first step of photosynthetic metabolism effects the facile oxidation of water to dioxygen and hydrogen cations. This is achieved through an incompletely-understood process of light-driven four-electron oxidation at the Mn4CaO5 cofactor of the Oxygen Evolving Complex (OEC) of the Photosystem II (PSII) holoenzymatic complex in photosynthetic autotrophs. Biomimesis of this reaction—artificial photosynthesis—may offer energy-efficient routes to industrial hydrogen generation and value-added derivatives, with implications for solar energy fixation. T
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