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Dissertations / Theses on the topic 'Intermolecular'

Author: Grafiati

Published: 4 June 2021

Last updated: 26 July 2025

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1

Bianchini, Thiago Bufeli [UNESP]. "O ensino por investigação abrindo espaços para a argumentação de alunos e professores do ensino médio." Universidade Estadual Paulista (UNESP), 2011. http://hdl.handle.net/11449/90983.

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Made available in DSpace on 2014-06-11T19:24:50Z (GMT). No. of bitstreams: 0 Previous issue date: 2011-09-28Bitstream added on 2014-06-13T19:52:39Z : No. of bitstreams: 1 bianchini_tb_me_bauru.pdf: 683609 bytes, checksum: ef65f80c6217a55d4db4bb22436bf15c (MD5)<br>Nas últimas décadas, o Ensino de Ciências vem buscando estratégias que favoreçam o entendimento dos conteúdos científicos ou, como indica Driver (1999), a enculturação da Ciência (DRIVER, CAPECCHI E CARVALHO, MORTIMER, 2000), além da formação de alunos e professores críticos e reflexivos. O uso da argumentação em salas de aula pode

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Bianchini, Thiago Bufeli. "O ensino por investigação abrindo espaços para a argumentação de alunos e professores do ensino médio /." Bauru : [s.n.], 2011. http://hdl.handle.net/11449/90983.

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Orientador: Silvia Regina Quijadas Ara Zuliani<br>Banca: Maria Eunice Ribeiro Marcondes<br>Banca: Odete Pacubi Baierl Teixeira<br>Resumo: Nas últimas décadas, o Ensino de Ciências vem buscando estratégias que favoreçam o entendimento dos conteúdos científicos ou, como indica Driver (1999), a enculturação da Ciência (DRIVER, CAPECCHI E CARVALHO, MORTIMER, 2000), além da formação de alunos e professores críticos e reflexivos. O uso da argumentação em salas de aula pode se tornar grande aliada na formação de jovens pensadores e críticos, que consigam utilizar seus pensamentos em favor próprio e e

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3

Randall, Karen L. "Studies of intermolecular interactions." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk2/tape16/PQDD_0014/NQ28043.pdf.

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4

McNally, Steven John. "Metal catalysed intermolecular hydroacylation." Thesis, University of Bath, 2003. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.426175.

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5

Régent, Damien [Verfasser], and Bernhard [Akademischer Betreuer] Breit. "Rhodium-catalyzed intra- and intermolecular alkene hydroacylation = Rhodium-katalisierte Intra- und Intermolecular Alken Hydroacylation." Freiburg : Universität, 2014. http://d-nb.info/1115813811/34.

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6

Hurst, G. J. B. "Intermolecular interactions by perturbation theory." Thesis, University of Cambridge, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.356653.

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7

Clark, Jane Northen. "Intermolecular interactions in polymer blends." Thesis, Imperial College London, 1990. http://hdl.handle.net/10044/1/47811.

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8

Varley, Lisa. "Intermolecular interactions : quantification and applications." Thesis, University of Sheffield, 2012. http://etheses.whiterose.ac.uk/2739/.

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This thesis deals with the nature of fundamental intermolecular interactions and the ways in which they can be exploited using supramolecular chemistry. Three separate studies have been undertaken in order to explore and quantify different types of electrostatic interactions. Chapter 2 describes an investigation into the nature of hydrogen bonding interactions between charged species and well-defined neutral hosts, in order to quantify their hydrogen bonding strength on an already established scale. The importance of metal-ligand interactions in self-assembly is documented in Chapter 3, where

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9

Sapmaz, Selma. "Rhodium (I) catalysed intermolecular hydroacylation." Thesis, University of Bath, 2003. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.275828.

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10

Moujaes, Elie A. "Intermolecular vibronic interactions in fullerene anions." Thesis, University of Nottingham, 2007. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.438359.

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11

Somerville, Brian John. "Studies in enantioselective intermolecular ene reactions." Thesis, University of Strathclyde, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.366920.

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12

Moia, Davide. "Intermolecular charge transport in dye monolayers." Thesis, Imperial College London, 2015. http://hdl.handle.net/10044/1/29104.

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This thesis reports the experimental investigation of intermolecular charge transport in dye monolayers anchored to the surface of nanocrystalline oxides. I use electrochemistry and transient spectroscopy to measure diffusion of holes within dye monolayers and interpret my observations on the basis of the non-adiabatic Marcus theory of charge transfer. I observe thermally activated hole diffusion for dyes used in dye sensitized solar cells (DSSCs) anchored to TiO2 and immersed in an inert acetonitrile based electrolyte. The corresponding values of reorganization energy of charge transfer betwe

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13

Randell-Sly, Helen Elizabeth. "Rhodium catalysed intermolecular chelation controlled hydroacylation." Thesis, University of Bath, 2006. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.442159.

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14

Jiménez, Silva Oriol. "Novel heterogeneous catalysts for intermolecular hydroamination reactions." [S.l.] : [s.n.], 2006. http://mediatum2.ub.tum.de/doc/601479/document.pdf.

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15

Sehati, Parisa. "Influence of intermolecular order at the interfaces." Doctoral thesis, Linköpings universitet, Ytors Fysik och Kemi, 2012. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-81066.

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The work presented in this thesis covers a range of different surfaces and interfaces of organic molecules/polymers and metallic materials. It is of vita importance to understand how charge transfer processes and other electrical interactions existing at physisorped contacts can influence the electronic structure at an interface. Hence our mission in these studies was to understand the physics happening at the aforementioned surfaces and interfaces of relevance to electronic devices, mainly solar cells. In order to explain the observed measurements at physisorped interfaces, a model previously

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16

Gellert, P. R. "Spectroscopic and theoretical studies of intermolecular forces." Thesis, University of Oxford, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.234945.

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17

Malik, Noor-e.-Mobeen. "Homologous intermolecular recombination in Escherichia coli K12." Thesis, University of Cambridge, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.621901.

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18

Hudson, Amanda Gayle. "Characterization of Intermolecular Interactions in Nanostructured Materials." Diss., Virginia Tech, 2015. http://hdl.handle.net/10919/77855.

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Advanced analytical techniques were utilized to investigate the intermolecular forces in several nanostructured materials. Techniques including, but not limited to, isothermal titration calorimetry (ITC), variable temperature Fourier transform infrared (FTIR) spectroscopy, and ultraviolet-visible (UV-Vis) thermal curves were used to study the fundamental interactions present in various nanomaterials, and to further probe the influence of these interactions on the overall behavior of the material. The areas of focus included self-assembly of surfactant micelles, polycation complexation of DNA

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19

Inglefield, Jr David Lott. "Tailoring Intermolecular Interactions for High-Performance Nanocomposites." Diss., Virginia Tech, 2001. http://hdl.handle.net/10919/64411.

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Acid oxidation of multi-walled carbon nanotubes (MWCNTs) introduced carboxylic acid sites onto the MWCNT surface, which permitted further functionalization. Derivatization of carboxylic acid sites yielded amide-amine and amide-urea functionalized MWCNTs from oxidized precursors. Conventional MWCNT characterization techniques including X-ray photoelectron spectroscopy (XPS), thermogravimetric analysis (TGA), and Raman spectroscopy supported successful MWCNT functionalization. Incorporation of MWCNTs functionalized with hydrogen bonding groups into a segmented polyurethane matrix led to an in

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Inglefield, David Lott Jr. "Tailoring Intermolecular Interactions for High-Performance Nanocomposites." Diss., Virginia Tech, 2014. http://hdl.handle.net/10919/64411.

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Acid oxidation of multi-walled carbon nanotubes (MWCNTs) introduced carboxylic acid sites onto the MWCNT surface, which permitted further functionalization. Derivatization of carboxylic acid sites yielded amide-amine and amide-urea functionalized MWCNTs from oxidized precursors. Conventional MWCNT characterization techniques including X-ray photoelectron spectroscopy (XPS), thermogravimetric analysis (TGA), and Raman spectroscopy supported successful MWCNT functionalization. Incorporation of MWCNTs functionalized with hydrogen bonding groups into a segmented polyurethane matrix led to an in

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21

Althorpe, Stuart C. "Bound state calculations for van der Waals dimers." Thesis, University of Cambridge, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.319937.

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22

Ng, Peter J. "Directed Organocatalytic Intermolecular Cope-type Hydroamination of Alkenes." Thèse, Université d'Ottawa / University of Ottawa, 2011. http://hdl.handle.net/10393/19895.

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Intermolecular reactions are inherently more difficult than intramolecular reactions, and several transformations can only occur as cyclizations, often to form 5-membered rings. The use of directing or tethering groups allowing preassociation with a reagent or catalyst is a common strategy to overcome such low reactivity, which can lead to increases in the rate, regioselectivity and stereoselectivity of intermolecular reactions. Typically, such preassociation involves hydrogen bonds, coordination to a metal ion/catalyst or stepwise installation of a temporary tether. As part of ongoing inve

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23

Robertson, Katherine N. "Intermolecular interactions in a series of organoammonium tetraphenylborates." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 2001. http://www.collectionscanada.ca/obj/s4/f2/dsk3/ftp04/NQ66644.pdf.

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24

Fortin, Anouk S. "Intra- and intermolecular interactions governing Pax-3 function." Thesis, McGill University, 2001. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=37617.

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Pax-3 is a transcription factors important in normal embryonic development, as highlighted by its mutation in independent alleles of the Splotch mouse mutant and human Waardenburg syndrome, both characterized by pigmentary disturbances in the heterozygous state and limb muscle defects in the homozygotes. Pax-3 contains two structurally independent DNA-binding domains, a paired domain and a homeodomain. Through the analysis of a number of naturally occurring mutations, we have shown that both DNA-binding domains are functionally interdependent, as independent mutations in either domain can affe

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25

Page, Christopher Samuel. "On non-classical intermolecular interactions and chiral recognition." Thesis, Imperial College London, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.287722.

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26

Allison, Susan. "Intermolecular structure and dynamics of aqueous N-methylacetamide." Thesis, University of Edinburgh, 2007. http://hdl.handle.net/1842/2427.

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The twin questions of how and why protein molecules fold into the specific topologies which enable them to fulfill their biological function have been the subject of continuous scientific investigation since the early twentieth century. Interactions between biological macromolecules and water are obviously crucial to both folding and function but attempts to gain understanding are impeded by the size and complexity of these systems. A useful approach is to consider much simpler model systems which capture some essential element of real biological systems but are experimentally and theoreticall

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27

Davies, Catherine L. "Intermolecular sensitisation of Lanthanide Luminescence in Amphiphilic Systems." Thesis, University of York, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.520025.

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28

Kirsch, Jonathan. "Evolution of diamination : from intra- to intermolecular version." Phd thesis, Université de Strasbourg, 2012. http://tel.archives-ouvertes.fr/tel-00856587.

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We have first been interested in the 1,2-intermolecular diamination of allylic ethers and managed to develop a first version. This reaction employs catalytic amounts of palladium(II) compounds as catalyst source and proceeds with complete regio- and stereoselectivity. It represents a significant advance in oxidative 1,2-difunctionalization of alkenes. Then we have realized an optimization and simplification of the procedure allowing the diamination of allylic ethers through the use of only one equivalent of alkene and one oxidant. The reaction employs catalytic amounts of palladium(II) compoun

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29

Al-Rasoul, Khalid. "Intermolecular forces in amphiphiles : an emulsion stability problem." Thesis, University of Reading, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.256365.

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30

Odendal, James Arthur. "Investigating intermolecular interactions motifs in ammonium carboxylate salts." Thesis, Stellenbosch : University of Stellenbosch, 2009. http://hdl.handle.net/10019.1/2965.

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Thesis (MSc (Chemistry and Polymer Science))--University of Stellenbosch, 2009.<br>ENGLISH ABSTRACT: This thesis reports an in-depth investigation of the intermolecular interaction motifs in secondary, primary and ammonium carboxylate salts. The investigation was conducted using the Cambridge Structural Database (CSD), together with a systematic steric-specific experimental study. The tendency in the literature has been to analyse organic salt crystal structures in terms of hydrogen bonding patterns, almost ignoring cation-anion interactions. This study focuses on the cation-anion inter

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31

Lenden, Philip. "Tandem catalytic processes involving Rhodium-catalysed intermolecular hydroacylation." Thesis, University of Oxford, 2011. http://ora.ox.ac.uk/objects/uuid:e63f5fd7-f92f-47dd-b06f-face73729804.

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This work describes the extension of rhodium-catalysed intermolecular hydroacylation to encompass some tandem catalytic processes, wherein a further catalytic process is enacted on the product of an intermolecular hydroacylation reaction in “one pot”. Chapter 1 entails an overview of the development of hydroacylation chemistry, with a focus on the different types of catalytic systems which have been used to facilitate this transformation. A brief description of some precedented examples of tandem catalytic processes which include a hydroacylation reaction is also included. Chapter 2 describes

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32

Hamza, Daniel. "Novel solid and solution phase intermolecular radical reactions." Thesis, University of Sussex, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.247970.

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33

Symes, Jillian Ellis. "Intra- and intermolecular reactivity of organic diacyl systems." Doctoral thesis, University of Cape Town, 1988. http://hdl.handle.net/11427/22138.

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The mechanism or a thermal amino group transfer-fragmentation reaction yielding carboxyamides from mixed phosphoric-carboxylic anhydrides (RO(R¹R²N)P(O)OC(O)R³; R = R¹ = alkyl; R² = H, alkyl, aryl; R³ = alkyl, aryl) was elucidated from structure reactivity studies using a model system, R = R¹ = R² = Me, R³ = Ph. Kinetic data was obtained using ¹H nmr spectroscopy; MNDO molecular orbital and molecular mechanics calculations, and the crystal structure or N-methyl-2-benzoyloxy-2-oxo-1, 3, 2-oxazaphosphorinane (Pna2₁; a = 22.229(6)Å, b = 7.597(2)Å, c = 7.210(2)Å; v = 1217.6(6)Å³. Final R = 3. 08%

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34

Strümpfer, Johan. "Computing free energy hypersurfaces for anisotropic intermolecular associations." Master's thesis, University of Cape Town, 2009. http://hdl.handle.net/11427/6290.

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Includes abstract.<br>Includes bibliographical references.<br>Adaptive reaction coordinate force biaisng methods have been previously used for calculating the free energy of conformation and chemical reactions amongst others. Here a generalized method is described that is able to produce free energies in multiple dimension, descriptively named the free energies from adaptive reaction coordinate forces (FEARCF) method. To illustrate it a multidemensional intermolecular orientational free energy surface is calculated, and it is demonstrated how to invesrigate complex systems such as protein conf

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35

Araújo, Ana Catarina Fernandes. "Molecular modeling of intermolecular interactions in acid hydrates." Master's thesis, Universidade de Aveiro, 2012. http://hdl.handle.net/10773/10947.

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Mestrado em Química<br>Esta dissertação explora o mundo nanoscópico de pequenos agregados onde as pontes de hidrogénio têm um papel preponderantes usando métodos quânticos ab-initio. No capítulo introdutório, a área da química computacional é apresentada e algumas noções teóricas referentes aos métodos ab-initio, discutidas. No Capítulo 2, o desempenho de vários níveis de teoria é avaliado através do estudo de pequenos agregados de água. O capítulo 3 discute a influência dos critérios de optimização no resultado deste processo, alertando para erros comuns. No Capítulo 4, hidratos gasosos de ác

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36

Gu, Yi Qi. "Intramolecular [2+2] Cycloadditions of Phenoxyketenes and Intermolecular [2+2] Cycloadditions of Aminoketenes." Thesis, University of North Texas, 1989. https://digital.library.unt.edu/ark:/67531/metadc332334/.

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One objective of this study was to explore the intramolecular [2+2] cycloadditions of phenoxyketenes to carbonyl groups with isoflavones and benzofurans as target compounds. The other objective was to investigate the eyeloaddition reactions of rarely studied aminoketenes. The conversion of 2-(carboxyalkoxy)benzils to the corresponding phenoxyketenes leads to an intramolecular [2+2] cycloaddition to ultimately yield isoflavones and/or 3-aroylbenzofurans. The product distributions are dependent upon the substitution pattern in the original benzil acids. The initial cycloaddition products, β-la

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37

Low, Russell John. "High resolution spectroscopy of weakly bound molecular complexes." Thesis, University of Oxford, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.296861.

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38

Allen, Stephanie. "The study of biomolecular interactions using scanning probe microscopy." Thesis, University of Nottingham, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.363596.

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39

Rohrdanz, Mary A. "Intermolecular communication via lattice phonons, probed by ultrafast spectroscopy /." view abstract or download file of text, 2005. http://wwwlib.umi.com/cr/uoregon/fullcit?p3190543.

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Thesis (Ph. D.)--University of Oregon, 2005.<br>Typescript. Includes vita and abstract. Includes bibliographical references (leaves 79-80). Also available for download via the World Wide Web; free to University of Oregon users.

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40

Esiringu, Ilker. "Intermolecular Addition Of Aldehydes To Ketones Via Acyl Phosphonates." Master's thesis, METU, 2008. http://etd.lib.metu.edu.tr/upload/3/12609441/index.pdf.

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This thesis presents a new developed method for first intermolecular aldehyde/ketone cross benzoin coupling. Protected &amp<br>#945<br>-keto tertiary alcohols are synthesized starting from easily available acyl phosphonates and ketones via Brook rearrangement in the presence of catalytic amount of cyanide ion. The scopes and the limitations of the methods for the synthesis of tertiary alcohols with &amp<br>#945<br>-keto group are discovered.

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41

Bizjak, Tanja. "Ultrafast photoinduced intra- und intermolecular charge transfer and solvation." Diss., lmu, 2004. http://nbn-resolving.de/urn:nbn:de:bvb:19-29695.

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42

Zarari, Maria Prodromou. "Intermolecular forces from the speed of sound in gases." Thesis, Imperial College London, 1993. http://hdl.handle.net/10044/1/8828.

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Zanbot, Dina. "Dynamics, Intermolecular Interactions, and Organization of Transmembrane β-Peptides". Doctoral thesis, Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2017. http://hdl.handle.net/11858/00-1735-0000-002E-E33F-1.

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44

Dejaegere, Annick P. "Experimental and theoretical study of intermolecular interactions in solution." Doctoral thesis, Universite Libre de Bruxelles, 1989. http://hdl.handle.net/2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/213264.

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45

Jiemchooroj, Auayporn. "First-principles calculations of long-range intermolecular dispersion forces." Licentiate thesis, Linköping : Dept. of Electrical Engineering, Linköping University, 2006. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-7512.

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46

Robertson, Rae Marie. "Single-molecule studies of DNA dynamics and intermolecular forces." Connect to a 24 p. preview or request complete full text in PDF format. Access restricted to UC campuses, 2007. http://wwwlib.umi.com/cr/ucsd/fullcit?p3284227.

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Thesis (Ph. D.)--University of California, San Diego, 2007.<br>Title from first page of PDF file (viewed January 11, 2008). Available via ProQuest Digital Dissertations. Vita. Includes bibliographical references (p. 139-149).

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47

Chatten, Ryan. "The effect of intermolecular forces on diffusion in polymers." Thesis, Brunel University, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.393176.

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48

Jones, Andrew. "Quantum drude oscillators for accurate many-body intermolecular forces." Thesis, University of Edinburgh, 2010. http://hdl.handle.net/1842/4878.

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One of the important early applications of Quantum Mechanics was to explain the Van-der-Waal’s 1/R6 potential that is observed experimentally between two neutral species, such as noble gas atoms, in terms of correlated uncertainty between interacting dipoles, an effect that does not occur in the classical limit [London-Eisenschitz,1930]. When many-body correlations and higher-multipole interactions are taken into account they yield additional many-body and higher-multipole dispersion terms. Dispersion energies are closely related to electrostatic interactions and polarisation [Hirschfelder-Cur

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Lo, Tsz-kiu Brian, and 盧子翹. "Intermolecular [4+3] cycloaddition reactions using epoxy enol silanes." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2011. http://hub.hku.hk/bib/B45877749.

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Maines, Geoffrey C. "Underwater Pressure Pulses Generated by Mechanically Alloyed Intermolecular Composites." Thèse, Université d'Ottawa / University of Ottawa, 2014. http://hdl.handle.net/10393/30708.

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Recently, the use of thermite-based pressure waves for applications in cellular transfection and drug delivery have shown significant improvements over previous technologies. In the present study, a new technique for producing thermite-generated pressure pulses using fully-dense nano-scale thermite mixtures was evaluated. This was accomplished by evaluation of a stoichiometric mixture of aluminium (Al) and copper(II)-oxide (CuO) prepared by mechanical alloying. Flame propagation speeds, constant-volume pressure characteristics and underwater pressure characteristics of both a micron-scale and

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