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1

Mampa, Richard Mokome. "X-ray and NMR spectropscopic studies of selected heterocyclic compounds of phosphorus and nitrogen /." Pretoria : [s.n.], 2000. http://upetd.up.ac.za/thesis/available/etd-02092006-155713/.

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2

Simandiras, Emmanuel D. "Analytic energy derivatives." Thesis, University of Cambridge, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.257217.

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3

Veltkamp, David James. "Energy dependent ion scattering spectroscopy : a chemometric study of its analytical utility /." Thesis, Connect to this title online; UW restricted, 1986. http://hdl.handle.net/1773/8584.

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4

Cai, Yue. "Nondestructive multi-element analysis of colorants for forensic applications and artwork authentication." HKBU Institutional Repository, 2013. https://repository.hkbu.edu.hk/etd_ra/1528.

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5

Seasholtz, Mary Beth. "Parsimonious construction of multivariate calibration models in chemometrics /." Thesis, Connect to this title online; UW restricted, 1992. http://hdl.handle.net/1773/8705.

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6

Lorenzo, Susan Chemistry Faculty of Science UNSW. "The supramolecular chemistry of cucurbituril molecules." Awarded by:University of New South Wales. School of Chemistry, 2006. http://handle.unsw.edu.au/1959.4/26990.

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The set of molecules cucurbit[n]uril (Qn) are macrocycles composed of n glycoluril monomers linked by methylene groups. These molecules have two oxygen-ringed portals of a diameter slightly smaller than their internal cavity diameter. This thesis describes syntheses, crystallisations, crystal structure determinations, crystal packing analyses and force field calculations exploring the supramolecular chemistry of Qn molecules and their derivatives. Qn acts as a host for guest molecules and at the outset of this project no metal containing molecule had been encapsulated in a Qn molecule. One aim
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7

Olsson, Jeanette. "New Techniques for Chiral Separations." Doctoral thesis, Karlstad : Faculty of Technology and Science, Chemistry, Karlstads universitet, 2008. http://www.diva-portal.org/kau/abstract.xsql?dbid=1594.

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8

Alberts, Ian Lee. "Analytic derivatives using correlated wavefunctions." Thesis, University of Cambridge, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.276837.

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9

Brown, Michael Ewart. "Reactions in the solid state." Link to this resource, 2005. http://eprints.ru.ac.za/252/.

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Thesis (D.Sc. (Chemistry)) - Rhodes University, 2006.<br>[Appendix]. Dedication - Acknowledgements - Curriculum vitae - Biographical notes - Publication list - Introduction to my research - Commentary-books - Commentary-research papers - Conclusions.
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10

Brown, Michael Ewart. "Reactions in the solid state." Thesis, Rhodes University, 2006. http://hdl.handle.net/10962/d1015762.

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I have chosen the title for this thesis, "Reactions in the Solid State", for two reasons: Firstly, it is broad enough to cover all of my areas of research, which have been: • Effects of irradiation on solids (PhD topic) • Silver refining (while at the Chamber of Mines) • Kinetics of decomposition of solids (with Dr A.K. Galwey and various others) • Techniques of thermal analysis • Pyrotechnic delay systems (with support from AECI Explosives) • Thermal and photostability of drugs (with Prof B.D. Glass) and, secondly, it was the title of the very successful book co-authored by Drs Andrew Galwey,
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11

Phillips, Sarah F. "A photophysical characterization on the unique properties of perylene-3,4:9,10-BIS((3,4,5(tris(octyloxy)benzohydrazide)-dicarboximide." Akron, OH : University of Akron, 2009. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=akron1249081748.

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Thesis (M.S.)--University of Akron, Dept. of Chemistry, 2009.<br>"August, 2009." Title from electronic thesis title page (viewed 10/14/2009) Advisor, David A. Modarelli; Faculty reader, Matthew P. Espe; Department Chair, Kim C. Calvo; Dean of the College, Chand Midha; Dean of the Graduate School, George R. Newkome. Includes bibliographical references.
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12

Payne, Timothy Howard. "Analytic theory of liquid crystalline phenomena." Thesis, University of Southampton, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.342642.

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13

Tozer, David James. "Analytic derivatives of potential energy surface." Thesis, University of Cambridge, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.338023.

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14

Ma, Shengli. "Mid-infrared and near-infrared vibrational circular dichroism new methodologies for biological and pharmaceutical applications /." Related electronic resource: Current Research at SU : database of SU dissertations, recent titles available full text, 2008. http://wwwlib.umi.com/cr/syr/main.

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15

Fleming, Cliona Mary. "Second order chemometric methods and the analysis of complex data /." Thesis, Connect to this title online; UW restricted, 1999. http://hdl.handle.net/1773/8552.

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16

Han, Jin Hee. "Isolation of phenylalanine hydroxylases and enzymatic studies with 3- and 4- pyridylalanine." Diss., Georgia Institute of Technology, 1988. http://hdl.handle.net/1853/27313.

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17

Rugunanan, Rajan Anil. "Intersolid pyrotechnic reactions of silicon." Thesis, Rhodes University, 1992. http://hdl.handle.net/10962/d1015571.

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A study of the role of different oxidants with silicon as the fuel in simple binary pyrotechnic compositions is reported. Several oxidants were examined, but only three (Sb₂0₃, Fe₂0₃ and Sn0₂) satisfied the restrictions that the combustion temperatures should be below the melting point of platinum/rhodium thermocouples (1760°C), that burning rates should not exceed the response of the thermocouples, and that burning should occur without significant mass-transport. A fourth oxidant, KN0₃, was selected on account of its low melting point and general importance as a pyrotechnic oxidant. The oxida
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18

Tanha, Matteus. "Development and Application of Efficient Data Analytic Methods in Quantum Chemistry." Research Showcase @ CMU, 2015. http://repository.cmu.edu/dissertations/1028.

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This work presents systematical approaches to improve both the application and theory of quantum chemical methods. Semi-empirical and ab initio quantum chemical methods are used to model fluorescent dyes for bio-imaging. A new approach to development of semiempirical quantum chemical methods is explored, and imitation learning is used to accelerate convergence of self consistent field calculations. The fluorescence of the SKC-513 dye is highly sensitive to the binding of K+ ion. Computations reveal that, in the absence of K+, excitation is to two nearly-degenerate states, a neutral (N) excited
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19

Aldridge, Paul K. "Spectroscopic instrumentation for process analytical chemistry /." Thesis, Connect to this title online; UW restricted, 1991. http://hdl.handle.net/1773/8512.

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20

Brown, Frank Reber. "Analytical applications of flow injection analysis." Diss., The University of Arizona, 1987. http://hdl.handle.net/10150/184254.

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The rate of oxidation of copper metal to copper (I) by copper (II) in the presence of organic ligands has been determined for a variety of ligands using a flow injection analysis system to sample the reaction. The results obtained using the FIA sampling method compare favorably with those obtained in eariler work when allyl alcohol was used as the ligand. The mechanism proposed in that earlier work has been shown to be a general mechanism for the oxidation of copper metal in the presence of complexing ligands. It was found that some ligands increase the rate of the reaction beyond the ability
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21

Li, Fang Owens Kevin G. "Development of a genetic algorithm-correlation analysis (GA/CA) program for classification of chemical compounds using mass spectral data /." Philadelphia, Pa. : Drexel University, 2008. http://hdl.handle.net/1860/2803.

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22

Tang, Xiaoting. "New analytical tools for systems biology." Online access for everyone, 2006. http://www.dissertations.wsu.edu/Dissertations/Fall2006/x_tang_081706.pdf.

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23

Brückner, Carsten Albrecht. "Rapid chromatographic analysis using novel detection systems and chemometric techniques /." Thesis, Connect to this title online; UW restricted, 1998. http://hdl.handle.net/1773/11573.

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24

Ovenden, Simon P. B. "Preparation of a natural product extract library for investigation against disease states specific to defence health a mini long range research project /." Fishermans Bend Victoria : Defence Science and Technology Organisation, 2009. http://hdl.handle.net/1947/9861.

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25

Krebs, Richard A. "Proteorhodopsin a study on its photocycle and its place in the evolution of the bacteriorhodopsin superfamily /." Related electronic resource: Current Research at SU : database of SU dissertations, recent titles available full text, 2006. http://proquest.umi.com/login?COPT=REJTPTU0NWQmSU5UPTAmVkVSPTI=&clientId=3739.

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26

Vinjamuri, Anil Kiran Kumar. "A Selectivity Study on the Use of Caffeine and Theobromine Imprinted Polypyrrole Surface Electrodes." TopSCHOLAR®, 2008. http://digitalcommons.wku.edu/theses/5/.

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27

Guo, Changning Nafie Laurence A. Freedman Teresa B. "Enantiomeric excess determination and reaction monitoring of chiral molecules using near-infrared and mid-infrared vibrational circular dichroism." Related electronic resource: Current Research at SU : database of SU dissertations, recent titles available full text, 2004. http://wwwlib.umi.com/cr/syr/main.

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28

Zhao, Taiping Nafie Laurence A. Freedman Teresa B. "Near-infrared vibrational circular dichroism of polypeptides and small pharmaceutical molecules." Related electronic resource: Current Research at SU : database of SU dissertations, recent titles available full text, 2004. http://wwwlib.umi.com/cr/syr/main.

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29

Grange, Andrew H. "Medium resolution atmospheric pressure ionization mass spectrometry /." Full text open access at:, 1988. http://content.ohsu.edu/u?/etd,158.

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30

Ho, Yee Man. "Development of sample pretreatment methods for complex analytical matrices." HKBU Institutional Repository, 2013. http://repository.hkbu.edu.hk/etd_ra/1510.

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31

Hall, Bradley John. "Development of solid phase microextraction (SPME) and matrix assisted laser desorption ionization (MALDI) with quadrupole ion trap mass spectrometry for analytical applications /." Digital version accessible at:, 1998. http://wwwlib.umi.com/cr/utexas/main.

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32

Joa, Susan Louise. "Electrochemical and Raman spectroscopic investigations of butanol isomers at silver and gold electrodes." Diss., The University of Arizona, 1992. http://hdl.handle.net/10150/185967.

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The overall goal of this research is to characterize the solvent and electrolyte structure of the nonaqueous electrochemical double layer in the isomers of butanol on Ag and Au electrodes. Electrochemical and spectroscopic methods are employed to obtain structural information about the interface. In order to gain a better understanding of the Raman vibrational assignments of these alcohols, the Raman vibrational assignments were determined for a series of n-alcohols (n = 3-6, 8, 12, 14, and 18) in the spectral region from 700 to 1320 cm⁻¹ and 2800 to 3000 cm⁻¹. Solvent structure of the butanol
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33

Williams, Kristina Charlene. "Direct Inject Mass Spectrometry for Illicit Chemistry Detection and Characterization." Thesis, University of North Texas, 2016. https://digital.library.unt.edu/ark:/67531/metadc849747/.

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The field of direct inject mass spectrometry includes a massive host of ambient ionization techniques that are especially useful for forensic analysts. Whether the sample is trace amounts of drugs or explosives or bulk amounts of synthetic drugs from a clandestine laboratory, the analysis of forensic evidence requires minimal sample preparation, evidence preservation, and high sensitivity. Direct inject mass spectrometry techniques can rarely provide all of these. Direct analyte-probed nanoextraction coupled to nanospray ionization mass spectrometry, however, is certainly capable of achievi
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34

Erickson, Brice Carl. "Multicomponent flow injection analysis and quantitative infrared emission spectroscopy : chemometric applications /." Thesis, Connect to this title online; UW restricted, 1988. http://hdl.handle.net/1773/8633.

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35

Sobocinski, Raymond Louis. "Electrochemical and Raman spectroscopic investigations of in situ and emersed silver-alcohol electrochemical interfaces." Diss., The University of Arizona, 1991. http://hdl.handle.net/10150/185476.

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The overall goal of this research is to characterize the potential-dependent structure and composition of the alcohol-Ag electrochemical interface. The approach involves the use of a variety of electrochemical and spectroscopic tools to arrive at a consistent model for a series of straight-chain alcohols (methanol, ethanol, 1-propanol, and 1-pentanol) at Ag electrodes. There are essentially four areas of investigation presented in this dissertation. The first portion of this work has been directed at the development of charge coupled device detection in Raman spectroscopy so that many of the i
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36

Bairu, Semere Ghebru. "Diamond paste based electrodes for inorganic analysis." Diss., Pretoria : [s.n.], 2003. http://hdl.handle.net/2263/27268.

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Differential pulse voltammetry is one of the most widely used analytical polarographic techniques especially for trace inorganic analysis. Up to now mercury electrode and different types of carbon electrodes were used for such analysis. The emphasis of the present dissertation is on the design of a new class of electrodes, namely mono crystalline diamond paste based electrodes, to be used in differential pulse voltammetry for trace analysis of inorganic compounds. Monocrystalline diamond and boron doped polycrystalline diamond based electrodes exhibit several superior electrochemical propertie
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37

Buchanan, Bruce Randall. "Compatability of optical-fiber measurements with near-infrared and visible analysis /." Thesis, Connect to this title online; UW restricted, 1987. http://hdl.handle.net/1773/11591.

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38

Franke, Mark Douglas. "An investigation of the kinetics and mechanisms in the dissolution of alumina in aqueous sulfuric acid." Thesis, Georgia Institute of Technology, 1985. http://hdl.handle.net/1853/10921.

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39

Tribelhorn, Michael John. "Reactions of iron- and zinc-fuelled pyrotechnic systems." Thesis, Rhodes University, 1995. http://hdl.handle.net/10962/d1005003.

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A major industrial use of pyrotechnic compositions is as delay fuses in electric detonators. Suitable delay times may be achieved through (i) choice of chemical components (ii) adjustment of composition of the system chosen and, finally, (iii) adjustment of the length of fuse used. This study forms part of a survey of binary fuel/oxidant combinations in an attempt to provide some fundamental information on the first step above: (i) choice of chemical components. The complete survey has included studies of a single fuel in combination with one of a variety of oxidants, and studies of the oxidat
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40

Kuhns, David W. "The viability of multiple bubble sonoluminescence for analytical applications /." Thesis, Connect to this title online; UW restricted, 1997. http://hdl.handle.net/1773/11590.

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41

Fraga, Carlos Gerardo. "Comprehensive two-dimensional gas chromatography and chemometrics for the analysis of complex mixtures /." Thesis, Connect to this title online; UW restricted, 2000. http://hdl.handle.net/1773/8690.

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42

Rivera-Laos, Mario Ernesto. "Complexing properties of 2,3-dimercaptosuccinic acid and its monomethyl and dimethyl esters." Diss., The University of Arizona, 1991. http://hdl.handle.net/10150/185451.

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Metal complexes of meso-dimercaptosuccinic (DMSA) acid were studied by potentiometric and infrared methods. The coordination sites were found to be metal dependent. In the cases of Pb²⁺ and Cd²⁺, one oxygen and one sulfur act as donors; in the case of Hg²⁺, two sulfur atoms act as donors. The solubilities of the chelates were found to be pH dependent. When the uncoordinated sulfhydryl and carboxylic acid groups dissociate, the chelates dissolve and remain in aqueous solution. In the case of racemic-DMSA, two types of Pb²⁺ chelates were isolated: one in which rac-DMSA is coordinated to Pb²⁺ via
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43

Palmer, Christopher Paul. "Effects of orientation and mobility of surface modifiers on the selectivity and efficiency of chemical interactions at selected chemically modified surfaces." Diss., The University of Arizona, 1991. http://hdl.handle.net/10150/185668.

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Several surfaces chemically modified with a variety of surface modifiers have been studied using chromatographic, nuclear magnetic resonance, and computational techniques. The goal was to determine the effect of modifier structure on the solvation, selectivity, and efficiency of chemical interactions occurring at chemically modified surfaces. Oleyldimethylchlorosilane has been synthesized and bonded to silica to determine the effect of a conformational change at the center of the chain on the behavior of the entire surface. It has been shown with these studies that the configuration of the mod
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44

Smith, David Paul. "Syntheses and characterization of compounds of niobium and tantalum with phenylimido and phenoxide ligation." Diss., The University of Arizona, 1991. http://hdl.handle.net/10150/185669.

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The metallacyclopentadiene (DIPp)₂CITa(CCMe₃=CHCH=CCMe₃) (α, α') (DIPP=2,6-diisopropylphenoxide) is isolated from the 2 electron reduction of Ta(DIPP)₂CI₃(OEt₂) in the presence of excess Me₃CC=CH. The α, α' isomer represents the kinetic product of this reaction since it can be thermolyzed to produce (DIPP)₂CITa(CCMe₃=CHCCMe₃=CH) (α, β’). The reactivity of these two isomers toward the addition of ethylene and alkynes has been investigated and found to be driven primarily by steric effects with the less hindered α, β’ isomer showing a more comprehensive chemistry. The rearrangement of α, α' to α
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45

Bryant, Mark Alan. "Surface Raman scattering of alkanethiols at silver and gold." Diss., The University of Arizona, 1991. http://hdl.handle.net/10150/185702.

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The overall goal of this research is a comprehensive characterization of self-assembled alkanethiol monolayer films at Ag and Au surfaces. A combination of surface Raman spectroscopy and electrochemistry is employed to study several important aspects of these films. Raman vibrational assignments for a series of n-alkanethiols (n = 4, 5, 8, 9, 10, 12, 16, and 18 for C(n)H(2n+1)SH) are determined in the spectral regions from 600 to 1300 cm⁻¹ and 2800 to 3000 cm⁻¹. Particular emphasis is given to the trans (T) and gauche (G) ν(C-S) and ν(C-C) bands and the ν(C-H) bands. Surface Raman spectra of n
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46

Pomeroy, Robert S. "Spark emission spectroscopy utilizing CID array detectors and related studies." Diss., The University of Arizona, 1992. http://hdl.handle.net/10150/185942.

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In the analysis of solid samples, there are two distinct advantages to performing direct analysis on the solid: (1) minimal sample preparation and (2) avoids potential sample contamination from the reagents used in the dissolution process. The two most common optical techniques for direct solids analysis are arc and spark emission spectroscopy. The most important drawback associated with arc and spark spectroscopy is in the acquistion and interpretation of the spectrum. The development of a custom echelle spectrometer with Charge Injection Device (CID) array detection carried out in these labo
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47

Surakitbanharn, Yosyong. "The efficient separation of platinum group metals using centrifugal partition chromatography." Diss., The University of Arizona, 1992. http://hdl.handle.net/10150/186074.

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Centrifugal Partition Chromatography (CPC) is a multistage liquid-liquid countercurrent distribution technique which utilizes rotating teflon cartridges to hold a liquid phase stationary while the other liquid phase is pumped at a constant flow rate. It has been demonstrated to be a valuable technique for the base line separations of families of metal ions such as the platinum group metals (PGM)--Pt, Pd, Rh and Ir. The separations of these metals as their anionic chloro complexes were achieved using the heptane-water phase pair with a stable and relatively inexpensive extractant trioctylphosph
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48

Johnson, David Duane. "The role of structure, orientation and composition of chemically tailored surfaces in differential migration techniques." Diss., The University of Arizona, 1993. http://hdl.handle.net/10150/186124.

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Control of separation processes which occur at solid-liquid interfaces can be achieved by understanding the interactions which occur at these interfaces. Because of its many desirable bulk characteristics, silica is the solid support of choice for many separation applications. Utilizing various differential migration techniques, control of the separation at different silica surfaces was investigated through irreversible chemical modification of the surface, the use of a dynamic modifier, and through physicochemical alteration of the silica surface. A new bonded phase was prepared by reacting γ
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49

Fung, Kee Fung Carol Alison. "The behavior of water at the modified silica interface." Diss., The University of Arizona, 1993. http://hdl.handle.net/10150/186134.

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The behavior of water at the modified silica interface was studied with Differential Scanning Calorimetry. A model for the interaction of water with the surface of silica was evolved to include the influence of the silica surface, the modification of the surface with hydrophobic and hydrophilic functional groups, and the presence of organic solvents. Initial studies involved the investigation of the melting behavior of water at the surface of unmodified silica. This was studied as a function of pore size, specific surface area, surface activity and specific pore volume. The perturbation of the
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50

Van, Orden Steven Lee. "Mechanistic investigations of gas phase ion-molecule reactions using Fourier transform ion cyclotron resonance mass spectrometry." Diss., The University of Arizona, 1993. http://hdl.handle.net/10150/186137.

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Studies of the mechanisms and energetics of a variety ion-molecule reactions involving organometallic and organic ions, have been performed using Fourier transform ion cyclotron resonance mass spectrometry (FTMS). The bond activation processes of V⁺, VO⁺, VOH⁺, and VOCH₃⁺ with water and methanol were investigated in detail. All ions are observed to preferentially activate the C-O bond in methanol, however C-H and O-H bond cleavage are also observed. The addition of the oxo, hydroxo, and methoxo ligands is found to significantly effect the intrinsic reactivity of the ions, relative to V⁺. The r
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