Dissertations / Theses on the topic 'Chemical reactions'
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Wickham, Andrew. "Fast chemical reactions." Thesis, University of Cambridge, 1993. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.309276.
Full textSteele, Aaron J. "Collective behavior in chemical systems." Morgantown, W. Va. : [West Virginia University Libraries], 2007. https://eidr.wvu.edu/etd/documentdata.eTD?documentid=5386.
Full textTitle from document title page. Document formatted into pages; contains vii, 126 p. : ill. (some col.) + video files. Includes supplementary video files in a zip file. Includes abstract. Includes bibliographical references.
Ginovska, Bojana. "Computational study of chemical reactions." Online access for everyone, 2007. http://www.dissertations.wsu.edu/Thesis/Fall2007/B_Ginovska_112607.pdf.
Full textParsons, R. W. "Mathematical models of chemical reactions." Thesis, Bucks New University, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.371228.
Full textMiners, Scott A. "Chemical reactions inside carbon nanotubes." Thesis, University of Nottingham, 2016. http://eprints.nottingham.ac.uk/33062/.
Full textDenuault, Guy. "Microelectrode studies of chemical reactions." Thesis, University of Southampton, 1989. https://eprints.soton.ac.uk/179323/.
Full textLarsson, Per-Erik. "Modelling Chemical Reactions : Theoretical Investigations of Organic Rearrangement Reactions." Doctoral thesis, Uppsala University, Department of Quantum Chemistry, 2003. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-3475.
Full textChemical reactions are ubiquitous and very important for life and many other processes taking place on earth. In both theoretical and experimental studies of reactivity a transition state is often used to rationalise the outcome of such studies. The present thesis deals with calculations of transition states in radical cation rearrangements, and a principle of least motion study of the rearrangements in the barbaralyl cation.
In particular, alternative quadricyclane radical cation (Q∙+) rearrangements are extensively studied. The rearrangement of Q∙+ to norbornadiene is extremely facile and is often used as a prototype for one-electron oxidations. However, electron spin resonance (ESR) experiments show that there are additional cations formed from Q∙+. Two plausible paths for the rearrangement of Q∙+ to the 1,3,5-cycloheptatriene radical cation are located. The most favourable one is a multistep rearrangement with two shallow intermediates, which has a rate-limiting step of 16.5 kcal/mol. In addition, a special structure, the bicyclo[2.2.1]hepta-2-ene-5-yl-7-ylium radical cation, is identified on these alternative paths; and its computed ESR parameters agree excellently with the experimental spectrum assigned to another intermediate on this path. Moreover, this cation show a homoconjugative stabilization, which is uncommon for radical cations.
The bicyclopropylidene (BCP) radical cation undergoes ring opening to the tetramethyleneethane radical cation upon γ-irradiation of the neutral BCP. This rearrangement proceeds through a stepwise mechanism for the first ring opening with a 7.3 kcal/mol activation energy, while the second ring opening has no activation energy. The dominating reaction coordinate during each ring opening is an olefinic carbon rehybridization.
The principle of least motion is based on the idea that, on passing from reactant to product, the reaction path with the least nuclear change is the most likely. By using hyperspherical coordinates to define a distance measure between conformations on a potential energy surface, a possibility to interpret reaction paths in terms of distance arises. In applying this measure to the complex rearrangements of the barbaralyl cation, a correct ordering of the conformations on this surface is found.
Liu, Z. "Insight into chemical reactions : from heterogeneous to enzymatic reactions." Thesis, Queen's University Belfast, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.398116.
Full textReding, Derek James. "Shock induced chemical reactions in energetic structural materials." Diss., Atlanta, Ga. : Georgia Institute of Technology, 2009. http://hdl.handle.net/1853/28174.
Full textCommittee Chair: Hanagud, Sathya; Committee Member: Kardomateas, George; Committee Member: McDowell, David; Committee Member: Ruzzene, Massimo; Committee Member: Thadhani, Naresh.
Beta, Carsten. "Controlling chemical turbulence in surface reactions." [S.l. : s.n.], 2005. http://www.diss.fu-berlin.de/2005/14/index.html.
Full textSantiso, Erik Emilio. "Effect of Confinement on Chemical Reactions." NCSU, 2007. http://www.lib.ncsu.edu/theses/available/etd-08102007-145433/.
Full textSzáraz, Ildikó. "Chemical reactions in aluminium electrolytic capacitors /." Luleå, 2003. http://epubl.luth.se/1402-1544/2003/05.
Full textHought, Julian L. "Advanced control of batch chemical reactions." Thesis, University of Huddersfield, 1992. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.314422.
Full textBondi, D. K. "The quantum theory of chemical reactions." Thesis, University of Manchester, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.382755.
Full textŠepelák, Vladimír, Paul Heitjans, and Klaus-Dieter Becker. "Mössbauer spectroscopy for studying chemical reactions." Universitätsbibliothek Leipzig, 2015. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-186672.
Full textŠepelák, Vladimír, Paul Heitjans, and Klaus-Dieter Becker. "Mössbauer spectroscopy for studying chemical reactions." Diffusion fundamentals 12 (2010) 23, 2010. https://ul.qucosa.de/id/qucosa%3A13874.
Full textRowe, Stephen Michael. "The use of reaction inhibition techniques for control of runaway polymerisation reactions." Thesis, London South Bank University, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.336802.
Full textAdesina, Olumide, Cassandra T. Eagle, Ayobami Olukanni, and Reza Mohseni. "Purification of Cyclohexene for Cyclopropanation Reactions." Digital Commons @ East Tennessee State University, 2019. https://dc.etsu.edu/asrf/2019/schedule/143.
Full textHolder, Grant Newton. "Redox reactivity of mononuclear and binuclear rhenium complexes." Diss., Georgia Institute of Technology, 1988. http://hdl.handle.net/1853/30392.
Full textMathews, Karen Lesley. "The Chemical and Cellular Basis of Allergic Reactions to Drugs and Chemicals." Thesis, University of Liverpool, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.507509.
Full textLiao, Rongzhen. "Quantum Chemical Cluster Modeling of Enzymatic Reactions." Doctoral thesis, Stockholms universitet, Institutionen för organisk kemi, 2010. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-43026.
Full textRussell, Caroline. "Quantum mechanical wavepacket calculations on chemical reactions." Thesis, University of Oxford, 1998. https://ora.ox.ac.uk/objects/uuid:bc8fa8c2-7fbd-4fb4-bddf-8086442e36b7.
Full textHammar, Peter. "Quantum Chemical Studies of Enantioselective Organocatalytic Reactions." Licentiate thesis, Stockholm : Bioteknologi, Biotechnology, Kungliga Tekniska högskolan, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-4701.
Full textMoore, Emily L. "Laser studies of gas phase chemical reactions." Thesis, University of Oxford, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.320640.
Full textRemmert, Sarah M. "Reduced dimensionality quantum dynamics of chemical reactions." Thesis, University of Oxford, 2011. http://ora.ox.ac.uk/objects/uuid:7f96405f-105c-4ca3-9b8a-06f77d84606a.
Full textTotenhofer, Ashley James. "Theory of molecular scattering and chemical reactions." Thesis, University of Manchester, 2008. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.489000.
Full textFarahani, Pooria. "Theoretical Studies of Seemingly Simple Chemical Reactions." Licentiate thesis, Uppsala universitet, Teoretisk kemi, 2013. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-228291.
Full textLind, Maria E. S. "Quantum Chemical Modeling of Asymmetric Enzymatic Reactions." Doctoral thesis, Stockholms universitet, Institutionen för organisk kemi, 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-116694.
Full textAt the time of the doctoral defense, the following papers were unpublished and had a status as follows: Paper 3: Manuscript. Paper 4: Manuscript.
Amar, Yehia. "Accelerating process development of complex chemical reactions." Thesis, University of Cambridge, 2019. https://www.repository.cam.ac.uk/handle/1810/288220.
Full textTyler, Lydia Justine. "Chemical reactions of an acyl carrier protein." Thesis, University of Cambridge, 1996. https://www.repository.cam.ac.uk/handle/1810/272174.
Full textLiljenberg, Magnus. "Quantum Chemical Studies of Aromatic Substitution Reactions." Doctoral thesis, KTH, Tillämpad fysikalisk kemi, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-206964.
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Elvira, Katherine S. "Digital microfluidic platforms for automated chemical reactions." Thesis, Imperial College London, 2012. http://hdl.handle.net/10044/1/9561.
Full textDantus, Marcos Zewail Ahmed H. Zewail Ahmed H. "Femtosecond transition-state spectroscopy of chemical reactions /." Diss., Pasadena, Calif. : California Institute of Technology, 1991. http://resolver.caltech.edu/CaltechETD:etd-06202007-112232.
Full textPotter, Earl Douglas Zewail Ahmed H. Zewail Ahmed H. "Ultrafast control and dynamics of chemical reactions /." Diss., Pasadena, Calif. : California Institute of Technology, 1993. http://resolver.caltech.edu/CaltechETD:etd-04042008-113817.
Full textOmiya, Kazuhiro. "Theoretical Study on Chemical Reactions in Solution." 京都大学 (Kyoto University), 2003. http://hdl.handle.net/2433/149571.
Full textGhosh, Pranab. "Studies on chemical reactions of carbocyclic compounds." Thesis, University of North Bengal, 1991. http://hdl.handle.net/123456789/767.
Full textSaleh, Nail Asad. "Dynamical solvent effect in 1-(9-anthryl)-3-(4-dimethylaniline) propane charge transfer reactions /." free to MU campus, to others for purchase, 2002. http://wwwlib.umi.com/cr/mo/fullcit?p3060138.
Full textBouma, Marinus Jan. "Multicomponent reactions as a tool for exploring new reactions and chemical diversity." Paris 11, 2010. http://www.theses.fr/2010PA112302.
Full textMulticomponent reactions (MCRs) are reactions where three or more starting materials are combined in a single reaction step to form a product that incorporates essentially all of the atoms of all the components. MCRs are the ideal reactions to explore the chemical space and the use of multicomponent reactions can easily lead to the discovery of new reactions. Ln this thesis, both new reactions as well as investigations towards new heterocyclic structures are presented. Using multicomponent strategies, a new method towards important aromatic α-ketoamides is described. The method is a direct one-pot synthesis of α-ketoamides by a ZnCl2 promoted oxidative coupling between an isocyanide and an aldehyde. The reaction is realised under miId conditions using both acetic acid and methyl hydroxylamine as shuttle molecules. This method towards aromatic α-ketoamides is complementary to a method towards aliphatic α-ketoamides earlier developed by our group. Another part of this thesis features the investigation of the reactivity of α-acidic isocyanides in a multicomponent reaction towards oxazoles. This reaction could be extended using a Diels Alder reaction, to form complex heterocycles. Following this principle, general one-pot syntheses towards functionalised pyrrolopyridines, naphthyridines, furoquinolines and phenanthrolines are presented and the difference between isocyanoacetates and isocyanoacetamides is discussed. Combining multicomponent chemistry and organocatalysis, an enantioselective multicomponent synthesis of oxazoles is also described. High enantioselectivities were obtained using chiral phosphoric acids
Grigsby, Charles Owen 1951. "Kinetics of rock-water reactions." Thesis, Massachusetts Institute of Technology, 1989. http://hdl.handle.net/1721.1/37986.
Full textTomlinson, Haydn. "Three topics in theoretical chemical dynamics." Thesis, University of Oxford, 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.288522.
Full textAmass, Dorothy Gwendoline. "Block co-polymerization by transformation reactions." Thesis, Aston University, 1996. http://publications.aston.ac.uk/9679/.
Full textFu, Yunyi Michael. "Development of a polymer-supported reagent for Trost-Lu isomerization reactions and reagents for Mitsunobu reactions." Click to view the E-thesis via HKUTO, 2008. http://sunzi.lib.hku.hk/hkuto/record/B39793989.
Full textFu, Yunyi Michael, and 付運毅. "Development of a polymer-supported reagent for Trost-Lu isomerization reactions and reagents for Mitsunobu reactions." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2008. http://hub.hku.hk/bib/B39793989.
Full textBrennan, C. M. "Ring closure reactions." Thesis, University of East Anglia, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.384611.
Full textSrinivasan, Ravi 1971. "Microfabricated reactors for partial oxidation reactions." Thesis, Massachusetts Institute of Technology, 1998. http://hdl.handle.net/1721.1/9865.
Full textBertram, Matthias. "Controlling turbulence and pattern formation in chemical reactions." [S.l.] : [s.n.], 2002. http://deposit.ddb.de/cgi-bin/dokserv?idn=964948931.
Full textRomero, Segura Rafael Martín. "Development of hypervalent iodine(iii)-mediated chemical reactions." Doctoral thesis, Universitat Rovira i Virgili, 2017. http://hdl.handle.net/10803/402470.
Full textLos reactivos de iodo hipervalente representan una herramienta muy poderosa para la realización de diferentes oxidaciones libres de metal. Se llevaron a cabo estudios mecanísticos incluyendo experimentos físico-orgánicos de control respecto a la diaminación intermolecular de alquenos, demostrando la veracidad de los cálculos DFT previamente realizados. Esta información resultó crucial para el desarrollo de una pionera diaminación enantioselectiva de estirenos catalizada por iodo(III). Uno de los mayores logros es el diseño de un nuevo catalizador de iodo quiral basado en el ácido láctico como fuente económica de información estereoquímica. La optimización del catalizador incluye un aumento crucial de electrondensidad en el núcleo de iodo y la presencia del grupo amida en la cadena de lactato quiral. Entre los diferentes oxidantes terminales probados, mCPBA resultó ser el más eficiente, dando buenos rendimientos y una enantioselectividad sin precedentes, siendo ésta siempre superior al 90% ee. Esta reacción puede extenderse a alquenos terminales e internos que contengan la estructura de estireno. Este logro representa uno de los resultados más avanzados en la diaminación asimétrica de alquenos. En un estudio adicional, se consiguió una nueva formación de enlaces carbono-boro. Aquí, la borilación de sales de diariliodonio fue posible tras la identificación de un contraión apropiado en el reactivo de diariliodonio. Gracias a la generación in situ de un umpolung en el centro de boro, su arilación por el reactivo hipervalente es posible. Con esta finalidad, se sintetizaron diferentes acetatos de diariliodonio y se demostró la gran aplicabilidad de esta metodología en la transferencia de grupos aromáticos. Este protocolo representa uno de los pocos procesos económicos de borilación en ausencia de metal.
Hypervalent iodine(III) reagents represent a powerful tool for the realisation of different metal-free oxidation reactions. Mechanistic studies including physical-organic control experiments concerning the oxidative iodine(III)-mediated intermolecular diamination of alkens were carried out, demonstrating the veracity of previous DFT calculations. This information provided crucial insight for the development of a pioneering iodine(III)-catalysed enantioselective diamination of styrenes. The design of a novel chiral iodine catalyst based on lactic acid as economic chiral information source represents the key accomplishment. Catalyst optimisation involves a crucial electrondensity enhancement at the iodine core and a secondary amide motive in the chiral lactate side chain. Among different terminal oxidants, conventional mCPBA emerged as the most efficient one leading to good yields and unprecedented enantioselectivities of above 90% ee. The scope of the reaction comprises terminal and internal alkenes within the styrene motif. It represents the state of the art in asymmetric diamination of alkenes. In an additional study, a novel carbon-boron bond formation was accomplished. Here, borylation of diaryliodonium salts was encountered feasible upon identification of a suitable counterion in the diaryliodonium reagent. By generating an in situ umpolung at the boron centre, its arylation by the hypervalent reagent becomes viable. To this end, different diaryliodonium acetates were synthesised, thereby successfully demonstrating a broad applicability of this new methodology regarding the transferable aromatic group. This protocol adds to the still scarce number of economic borylation reactions under metal-free conditions.
Fick, Jerker. "Chemical reactions in ventilation systems : Ozonolysis of monoterpenes." Doctoral thesis, Umeå University, Chemistry, 2003. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-97.
Full textChemicals in indoor air, either emitted from a source or from a reaction, have been suggested to cause ill health in buildings. However, no clear correlations between exposure and health effects have been made.
In this thesis we studied the reaction between monoterpenes, a group of biogenic unsaturated C10 hydrocarbons, and ozone. Ozonolysis of monoterpenes was used as model reactions for unsaturated compounds in ambient air. Also the products formed from these reactions have been suggested as important participants in the occurrence of discomfort and ill health in buildings.
To enable a reliable and sensitive measurement of ppb-ppt levels of monoterpenes and the formed products in the presence of ozone an evaluation of available scrubber materials was made. Potassium iodide was shown to remove ambient levels of ozone and have a recovery of >95% for all monoterpenes and formed products included in the investigation.
Experimental conditions showed to have a large impact on the initial steps of the ozonolysis, and also on the composition of the formed products. We showed that water plays an important and complex role both in the initial stage of ozonolysis of ∆3-carene and in the formation and composition of products from the ozonolysis of ∆-pinene. The use of experimental design facilitated the evaluation of the investigated reactions. We showed that the formation of OH radicals could be studied using multiple linear regression models and that the presence or absence of OH radicals had a profound impact on the formation of many of the formed products. We also made an observation of the lack of formed OH radicals in the ozonolysis of limonene and discussed probable causes of this observation.
Despite the short reaction times and the ambient levels of ozone and monoterpenes used in our experiments we showed that a number of oxidation products were formed, and that the reaction rate is significantly increased in a ventilation system. This formation is underestimated by theoretical calculations and leads to high amounts of known irritants in the indoor air. We showed that theoretical calculations underestimate the formation of these oxidation products 3-13 times, depending on ventilation system and monoterpene.
Goto, Masashi. "Kinetics of atmospheric chemical reactions of fluorinated hydrocarbons." 京都大学 (Kyoto University), 2005. http://hdl.handle.net/2433/145179.
Full text0048
新制・課程博士
博士(地球環境学)
甲第11759号
地環博第1号
新制||地環||1(附属図書館)
23402
UT51-2005-D508
京都大学大学院地球環境学舎地球環境学専攻
(主査)教授 川崎 昌博, 教授 田村 類, 助教授 川崎 三津夫
学位規則第4条第1項該当
Bijlsma, Sabina. "Estimating rate constants of chemical reactions using spectroscopy." [S.l. : Amsterdam : s.n.] ; Universiteit van Amsterdam [Host], 2000. http://dare.uva.nl/document/81947.
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