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The Limitations Of Women In Science At Six Midwestern Colleges Due To The Adherence To Conceptions Of Gender Differences Between The Sexes In The Years Of 1880 Through 1940, Denise Mohney '91 Apr 1991

The Limitations Of Women In Science At Six Midwestern Colleges Due To The Adherence To Conceptions Of Gender Differences Between The Sexes In The Years Of 1880 Through 1940, Denise Mohney '91

Honors Projects, History

It is difficult for college students today to imagine life when the term "discrimination" had not yet been defined or conceived. Yet only a little more than a hundred years ago women were first entering the academic world alongside men. These were often middle class women whose primary interactions with men had been through courtship and marriage. It was questioned whether women's intellectual ability and physical stamina were strong enough to persevere through the college experience. Scientists and physicians, writing for the general public, cited evidence that besides physical distinctions between the sexes, there were also intellectual and emotional differences. …


Electrostatically Paired Porphyrin And Phthalocyanine: Equilibria And Electrochemical Oxidation, Libin Ho '91 Apr 1991

Electrostatically Paired Porphyrin And Phthalocyanine: Equilibria And Electrochemical Oxidation, Libin Ho '91

Honors Projects

A synthetic model system for the special pair in the photosynthetic reaction center of bacteria has been prepared from electrostatically paired porphyrin and phthalocyanine molecules. Use of rigorously dry propylene carbonate as the solvent allowed complex fonnation to occur between tetra-(N-methyl-4-pyridyl)porphyrin hexafluorophosphate (H2TMPyP(PF6)4) and tetraphenylphosphonium tetrasulfatophthalocyanine (Ph4P)4H2TSPc molecules. The stoichiometry of the complex was determined to be 1:1 by Job's method and the pair formation constant K1 was estimated to be 1x108.T he dependence of K1 on ionic strength was studied at various concentrations of tetra-n-butylammonium tetrafluoroborate BU4NBF4. With increasing ionic strength K1 decreases as expected according to the Debye-Huckellimiting …


Fourier Transform Infrared (Ftir) Spectroscopy Analysis Of Combustion Aerosol, Gary Jacquin Apr 1991

Fourier Transform Infrared (Ftir) Spectroscopy Analysis Of Combustion Aerosol, Gary Jacquin

Opportunities for Undergraduate Research Experience Program (OURE)

In conjunction with my co-op program at McDonnell-Douglas, my current OURE project is the analysis of combustion aerosols using Fourier Transform Infrared (FTIR) Spectroscopy. Aerosol science is a very important field as it is concerned with atmospheric chemistry, atmospheric physics, climate, public health, and environmental issues.

In the Cloud and Aerosol Sciences Laboratory (CASL) at UMR, combustion aerosols are generated by an in-house designed torch or burner. The fuels, JP4 and JP5, are provided by McDonnell-Douglas. Some other commercial fuels are also used. The primary objective of my OURE project was to generate and collect combustion aerosols for chemical analysis. …


Analysis Of Two Circuits For Detecting Superconducting Transition Temperatures, Terry Bowness Apr 1991

Analysis Of Two Circuits For Detecting Superconducting Transition Temperatures, Terry Bowness

Opportunities for Undergraduate Research Experience Program (OURE)

When measuring the transition temperature of large numbers of high Tc superconducting samples it is desirable to have available equipment that is both easy to operate and reliable. In addition should anything malfunction, the device should be relatively simple to repair. One method of measurement involves placing a sample in the magnetic field of an inductor, the inductor being an active member of some type of oscillating circuit. There are many standard oscillator designs which can be used for this type of application. In this report two such circuits, the tunnel diode and Hartley oscillators, will be examined and …


The Reactions Of N-Phenylaminoiminomethanesulfonic Acid (Paimso) With Meldrum's Acid, Milana-Minja Maletic '91 Apr 1991

The Reactions Of N-Phenylaminoiminomethanesulfonic Acid (Paimso) With Meldrum's Acid, Milana-Minja Maletic '91

Honors Projects

No abstract provided.


Molecular-Orbital Studies Via Satellite-Free X-Ray Fluorescence: Cl-K Absorption And K–Valence-Level Emission Spectra Of Chlorofluoromethanes, Rupert C. Perera, P. L. Cowan, Dennis W. Lindle, R. E. Lavilla, T. Jach, R. D. Deslattes Apr 1991

Molecular-Orbital Studies Via Satellite-Free X-Ray Fluorescence: Cl-K Absorption And K–Valence-Level Emission Spectra Of Chlorofluoromethanes, Rupert C. Perera, P. L. Cowan, Dennis W. Lindle, R. E. Lavilla, T. Jach, R. D. Deslattes

Chemistry and Biochemistry Faculty Research

X-ray absorption and emission measurements in the vicinity of the chlorine K edge of the three chlorofluoromethanes have been made using monochromatic synchrotron radiation as the source of excitation. By selectively tuning the incident radiation to just above the Cl 1s single-electron ionization threshold for each molecule, less complex x-ray-emission spectra are obtained. This reduction in complexity is attributed to the elimination of multielectron transitions in the Cl K shell, which commonly produce satellite features in x-ray emission. The resulting "satellite-free" x-ray-emission spectra exhibit peaks due only to electrons in valence molecular orbitals filling a single Cl 1s vacancy. These …


A Mössbauer-Effect Study Of A Series Of R₂Fe₁₄C Hard Magnetic Materials, Gary J. Long, Oran Allan Pringle, Gaya Kanishka Marasinghe, Fernande Grandjean, K. H. Buschow Apr 1991

A Mössbauer-Effect Study Of A Series Of R₂Fe₁₄C Hard Magnetic Materials, Gary J. Long, Oran Allan Pringle, Gaya Kanishka Marasinghe, Fernande Grandjean, K. H. Buschow

Chemistry Faculty Research & Creative Works

The 57Fe Mössbauer-effect spectra of the series of hard magnetic materials, R2Fe14C, where R is Nd, Gd, Tb, Dy, Ho, and Lu, have been measured at 295 K. All of these carbides exhibit uniaxial magnetic anisotropy. The spectra resemble those obtained for the related R 2Fe14B compounds and have been fit with the model used earlier for Nd2Fe14B. The magnitude of the hyperfine field on each site, as a function of rare earth, parallels the Curie temperature; the maximum hyperfine fields and the maximum Curie temperature are observed …


Bulletin No 4219 - Chemical Control Of Insect Pests In Field Crops And Pastures, T. P. Quinn, G. P. Mangano, P. J. Michael Apr 1991

Bulletin No 4219 - Chemical Control Of Insect Pests In Field Crops And Pastures, T. P. Quinn, G. P. Mangano, P. J. Michael

Bulletins 4000 -

Chemicals currently registered in Western Australia for use against pests of field crops and pasture are given in the following tables. Trade names are listed alongside each chemical formulation.

Department of Agriculture Bulletin 4185 "Insect and allied pests of extensive farming" will help you identify the pest(s) through coloured photographs, descriptions and keys. Information on the type of damage, life cycle and control is also provided. Further information is available in Farmnotes on specific pests and on pests of a particular crop.

The Poison Schedule for each product is indicated in the table. Extremely toxic chemicals are labelled as "dangerous …


Model Calculational Approach To The Conformation Of Adsorbed Polypeptide Fragments, Timothy J. Mckeon Apr 1991

Model Calculational Approach To The Conformation Of Adsorbed Polypeptide Fragments, Timothy J. Mckeon

Opportunities for Undergraduate Research Experience Program (OURE)

The focus of the paper is to examine possible conformational changes of peptides when placed in the presence of a poly-synthetic material. A major concern in the pharmaceutical industry is the loss of potency of polypeptide drug products during processing, packaging and storage. An example of this is polymer syringes being used in place of glass ones. The effect is that some protien-derived products experience structural changes due to contact with the polymer. This is otherwise known as surface denaturation. In order to understand the energetics of interfacial polypeptide systems, a calculational approach was used via the program Alchemy. The …


Synthesis And Characterization Of An 18-Membered Macrocyclic Ligand Containing 2,2-Biimidazole For Selective Binding Of Transition Metal Ions, Mark Barnett Apr 1991

Synthesis And Characterization Of An 18-Membered Macrocyclic Ligand Containing 2,2-Biimidazole For Selective Binding Of Transition Metal Ions, Mark Barnett

Opportunities for Undergraduate Research Experience Program (OURE)

A description of the synthetic approach to the preparation of an 18 membered macrocyclic ligand containing 2/2'-biimidazole is presented. A diol derivative of 2,2'-biimidazole is tosylated with p-toluene sulfonyl chloride making it susceptible to bimolecular substitution with a disodium salt of tetratosylated triethylenetetraamine. The final desired product is an 18N6 macrocycle, 4,7-(l,l'-(2,2'-biimidazolo))-l,4,7,10,13,16-hexaazacyclooctadecane, potentially capable of binding transition metal ions in various combinations with three chelating sites. Initial characterization includes NMR and IR spectroscopic analysis.


The Synthesis And Characterization Of Metal Binding Polymers Containing 2,2'-Biimidazole, Renee Proctor Apr 1991

The Synthesis And Characterization Of Metal Binding Polymers Containing 2,2'-Biimidazole, Renee Proctor

Opportunities for Undergraduate Research Experience Program (OURE)

Epoxides are known to form ring-opened polymer products that have demonstrated improved material strength, high heat stability, and chemical resistance as adhesives, coatings, and molding materials. It has been suggested that imidazoles can be used in the catalysis of this polymerization, and that the pyridyl nitrogen of the imidazole ring participates in epoxy ring-opening and is then incorporated in the polymeric structure. This study was conducted to test this theory of the role of pyridyl nitrogen in the reaction of 1,1'- dihydroxyethyl-2,2’-biimidazole (HEB) and metal-HEB complexes in reactions with the diglyddyl ether of bisphenol A (DGEBA). Of particular interest in …


Stimulation Of Amorphous Layers In The Co-Si System By Third Element Additions, Denise Brandt Apr 1991

Stimulation Of Amorphous Layers In The Co-Si System By Third Element Additions, Denise Brandt

Opportunities for Undergraduate Research Experience Program (OURE)

Multilayer thin films play an important role in our technology today. They can be found in many devices such as magnetic hard disks, microelectronic circuits, and x-ray optical elements. In many of these metal-metal and metal-metalloid multilayers, amorphous layers have been discovered using various techniques such as extended x-ray absorption fine structure (EXAFS) and high resolution transmission electron microscopy (HTEM). These amorphous layers enhance the magnetic and electrical properties of the alloy. They also affect the mechanical and structural properties of the system.

The solid state amorphous reactions (SSAR) occur whether the layers are formed by epitaxy or by sputtering. …


Enantiomeric Separation By Cloud Point Precipitation Of Cyclodextrins, Deanna L. Schmid Apr 1991

Enantiomeric Separation By Cloud Point Precipitation Of Cyclodextrins, Deanna L. Schmid

Opportunities for Undergraduate Research Experience Program (OURE)

Certain cyclodextrins exhibit a diminishing solubility in water when heated. This phenomena of cloud point precipitation in conjunction with cyclodextrin's ability to form an inclusion complex with many compounds, can be used as a method of chemical separation. These cyclodextrins can be removed from the solution after precipitation by a hot filtration technique and the remaining solution analyzed by HPLC. Enantiomeric separations, concentration of compounds and removal of hazardous organic materials are all possible applications of cloud point extraction using cyclodextrins.


Analytical Modeling And Simulation For Investigation Of A Digital Gas Filter Correlation Radiometer, Catherine P. Mcgowan Apr 1991

Analytical Modeling And Simulation For Investigation Of A Digital Gas Filter Correlation Radiometer, Catherine P. Mcgowan

Electrical & Computer Engineering Theses & Dissertations

This thesis investigates a digital gas filter correlation radiometer called the Tropospheric Radiometer for Atmospheric Chemistry and Environmental Research (TRACER), which will be used to remotely measure carbon monoxide at three levels in the troposphere. The nadir-viewing radiometer measures the differential absorption of radiation through the atmosphere at 4.67@m and 2.33pm wavelengths. This thesis develops an analytical model of the TRACER measurement process to evaluate the effect of varying certain system parameters on the measurement. The independent sampling criterion and the response of linear systems to random signals are explained. A parametric simulation model is also developed to evaluate the …


A Study Of The Reactions Of P-Dipiperidino Benzene And Its Synthesis From 1,4-Dicyano-1,4-Dipiperidinocyclohexane, Ilias Konstantinos Dorziotis Apr 1991

A Study Of The Reactions Of P-Dipiperidino Benzene And Its Synthesis From 1,4-Dicyano-1,4-Dipiperidinocyclohexane, Ilias Konstantinos Dorziotis

Chemistry & Biochemistry Theses & Dissertations

Following a classical synthesis of PCP2 Williams attempted to prepare l,4-diphenyl-1,4-dipiperidino cyclohexane 41 . This approach involved the preparation of 1,4- dicyano-1,4-dipiperidinocyclohexane 7 and the subsequent decyanation of the compound with phenylmagnesium bromide to produce 4. This attempt failed, however, as only the monophenylated product, 8, was thought to be obtained. This product had unique reactivity, producing a blue intermediate upon treatment with halogen in both aqueous and non aqueous media. The same intermediate was produced upon irradiation of a chloroform solution of this product with sunlight or UV light in a UV chamber, with the …


An Analysis Of Dissolved Organic Compounds And Their Contribution To Iron Complexation In The Shallow Leachate Plume Of The West Kl Landfill Kalamazoo, Michigan, Eric Fahle Apr 1991

An Analysis Of Dissolved Organic Compounds And Their Contribution To Iron Complexation In The Shallow Leachate Plume Of The West Kl Landfill Kalamazoo, Michigan, Eric Fahle

Masters Theses

High concentrations of dissolved iron are present in downgradient groundwater samples adjacent to the western border of the West KL Landfill. Analysis by Rudder (1988) of groundwater samples indicates oversaturation of selected iron oxides, iron sulfides and siderite in monitoring wells TW-4 and M3.

Previous research suggests that pyrogallol, gallic acid, tannic acid and similar organic compounds may retard the oxidation of ferrous iron in the shallow leachate plume of the West KL landfill (Rudder, 1988). Present research utilizing solid phase extraction, reverse phase high performance chromatography, Fourier transform IR spectrophotometry, UV/Visible spectrophotometry, and gas chromatography/mass spectroscopy indicate that pyrogallol, …


Multiphoton Ionization Of Nitrobenzene In Non-Aqueous Solutions: Characterization Of The Cation And Ion-Molecule Chemistry, G. Siuzdak, J. J. Belbruno Mar 1991

Multiphoton Ionization Of Nitrobenzene In Non-Aqueous Solutions: Characterization Of The Cation And Ion-Molecule Chemistry, G. Siuzdak, J. J. Belbruno

Dartmouth Scholarship

The phenoxy cation has been generated in polar and nonpolar solutions by multiphoton ionization of nitrobenzene using nanosecond pulses of 266 nm and 355 nm light. The ions have been characterized by pulsed conductivity (ion mobility) measurements and transient absorption spectroscopy. The involvement of the phenoxy ion in ion-molecule chemistry with either neutral solute or solvent molecules has also been observed and the photochemical products and quantum yields of the ion-molecule products are presented and compared with the neutral photochemistry results.


Nonadiabatic Electronic Interactions In The Ion-Pair States Of Nelcl, Thomas Alex Stephenson, Y. Hong, M. I. Lester Mar 1991

Nonadiabatic Electronic Interactions In The Ion-Pair States Of Nelcl, Thomas Alex Stephenson, Y. Hong, M. I. Lester

Chemistry & Biochemistry Faculty Works

Nonadiabatic interactions in the NeIC1 van der Waals complex have been explored in the lowest energy triad of IC1 ion-pair states (approximately 39 000 cm-1). Dispersed fluorescence measurements reveal emission characteristic of multiple ion-pair electronic states, with the relative contributions from the E(O+ ), beta(1), and D'(2) states changing with the initial IC1 vibrational excitation (v(IC1)). Emission directly from NeIC1 (v(IC1) = O) complexes indicates that the initially prepared NeIC1 levels have mixed electronic character and that the IC1 electronic parentage changes with the initial van der Waals vibrational level selected. NeIC1 complexes prepared with 1-4 quanta of IC1 stretch …


Polarized X-Ray-Emission Studies Of Methyl Chloride And The Chlorofluoromethanes, Dennis W. Lindle, P. L. Cowan, T. Jach, R. E. Lavilla, R. D. Deslattes, Rupert C. Perera Mar 1991

Polarized X-Ray-Emission Studies Of Methyl Chloride And The Chlorofluoromethanes, Dennis W. Lindle, P. L. Cowan, T. Jach, R. E. Lavilla, R. D. Deslattes, Rupert C. Perera

Chemistry and Biochemistry Faculty Research

A new technique sensitive to molecular orientation and geometry, and based on measuring the polarization of x-ray emission, has been applied to the Cl-containing molecules methyl chloride (CH3Cl) and the chlorofluoromethanes (CF3Cl, CF2Cl2, and CFCl3) in the gas phase. Upon selective excitation using monochromatic synchrotron radiation in the Cl K-edge (Cl 1s) near-threshold region, polarization-selective x-ray emission studies reveal highly polarized molecular valence x-ray fluorescence for all four molecules. The degree and the orientation of the polarized emission are observed to be sensitive to the incident excitation energy near …


An Assessment Of The Accuracy Of Semi-Empirical Quantum Chemistry Calculations Of The Mechanical Properties Of Polymers, James R. Shoemaker Mar 1991

An Assessment Of The Accuracy Of Semi-Empirical Quantum Chemistry Calculations Of The Mechanical Properties Of Polymers, James R. Shoemaker

Theses and Dissertations

The ultimate mechanical properties of polymers, assuming perfect morphology, will be limited by the mechanical properties of a single, ideal polymer chain. Previous calculations of polymer chain moduli using semi- empirical (SE) quantum chemistry methods have resulted in modulus values much higher than experimentally measured. This study investigated the error in the calculated inherent to the method of calculation by comparing SE results for C-C bond potentials in two well characterized polymers, polyethylene and polydiacetylene. It was found that the SE calculation systematically overpredicted bond stiffness in these polymers by approximately 25% to 30%. This is the upper limit on …


Stability And Structure Of Three-Way Dna Junctions Containing Unpaired Nucleotides, Neocles B. Leontis, Wendy Kwok, Jennifer S. Newman Feb 1991

Stability And Structure Of Three-Way Dna Junctions Containing Unpaired Nucleotides, Neocles B. Leontis, Wendy Kwok, Jennifer S. Newman

Chemistry Faculty Publications

Non-paired nucleotides stabilize the formation of three-way helical DNA junctions. Two or more unpaired nucleotides located in the junction region enable oligomers ten to fifteen nucleotides long to assemble, forming conformationally homogeneous junctions, as judged by native gel electrophoresis. The unpaired bases can be present on the same strand or on two different strands. Up to five extra bases on one strand have been tested and found to produced stable junctions. The formation of stable structures is favoured by the presence of a divalent cation such as magnesium and by high monovalent salt concentration. The order-disorder transition of representative three-way …


Fkb1 Encodes A Nonessential Fk 506-Binding Protein In Saccharomyces Cerevisiae And Contains Regions Suggesting Homology To The Cyclophilins, Gregory Wiederrecht, Leonardo Brizuela, Keith Elliston, Nolan H. Sigal, John Siekierka Feb 1991

Fkb1 Encodes A Nonessential Fk 506-Binding Protein In Saccharomyces Cerevisiae And Contains Regions Suggesting Homology To The Cyclophilins, Gregory Wiederrecht, Leonardo Brizuela, Keith Elliston, Nolan H. Sigal, John Siekierka

Department of Chemistry and Biochemistry Faculty Scholarship and Creative Works

FK 506, a powerful immunosuppressant that blocks allograft rejection by preventing T-cell activation, binds to an 11-kDa protein called the FK 506-binding protein (FKBP). Like cyclophilin, a cytosolic protein that binds another immunosuppressant, cyclosporin A, FKBP possesses peptidylprolyl cis-trans isomerase activity. We have isolated a genomic clone encoding the yeast FKBP (FKB1). The gene encodes a protein of 114 amino acids having a calculated M(r) of 12,158. Disruption of the gene shows that FKB1 is not essential for growth. A search of translated nucleic acid data bases revealed bacterial FKBP homologs in Neisseria meningiditis and Pseudomonas aeruginosa. Comparison of the …


High-Resolution Photoelectron Spectrometry Study Of Conjugate Shakeup Processes In The Li 1s Threshold Region, B. Langer, J. Viefhaus, Oliver Hemmers, A. Menzel, U. Becker Feb 1991

High-Resolution Photoelectron Spectrometry Study Of Conjugate Shakeup Processes In The Li 1s Threshold Region, B. Langer, J. Viefhaus, Oliver Hemmers, A. Menzel, U. Becker

Environmental Studies Faculty Publications

Partial cross sections and angular-distribution asymmetry parameters of diagram and satellite lines associated with Li 1s photoionization were measured using synchrotron-radiation excitation. Special emphasis was given to a high-resolution study of the 1P and 3P conjugate shakeup satellite lines testing qualitative predictions of the conjugate shakeup model: increasing σ and decreasing β values towards threshold, both being verified. Comparison with recent relaxed Hartree-Fock calculations shows good agreement for the 1P satellite, but demonstrates also that the present theory does not seem to be able to describe the cross-section behavior of the 3P satellite correctly.


Evaluation Of D-Amino Acid Levels In Human Urine And In Commercial L-Amino Acid Samples, Daniel W. Armstrong, J. D. Duncan, S. C. Lee Feb 1991

Evaluation Of D-Amino Acid Levels In Human Urine And In Commercial L-Amino Acid Samples, Daniel W. Armstrong, J. D. Duncan, S. C. Lee

Chemistry Faculty Research & Creative Works

Detectable levels of four free D-amino acids (phenylalanine, tyrosine, tryptophan and leucine) were found in human urine. This was accomplished using a liquid chromatographic coupled column (i.e., achiral-chiral) method that was developed for the rapid and sensitive analysis of these compounds. The technique was tested on a series of commercial L-amino acids. Care was taken to minimize racemization. Trace to percent levels of contaminating D-enantiomers were found in all commercial samples. In urine the D-amino acids ranged from several hundredths of a percent up to percent levels of the corresponding excreted natural L-amino acids. There were no apparent correlations between …


Automobile Pollution Is A Disease, Donald H. Stedman Feb 1991

Automobile Pollution Is A Disease, Donald H. Stedman

Fuel Efficiency Automobile Test Publications

Brief article printed on grocery bags (#27) by Food & Liquor Publications in Benicia, CA.


Investigations Of Substitution Of Bi And Tl For Rare Earth Elements In Superconducting Rba2cu3oy, Jian Tang Jan 1991

Investigations Of Substitution Of Bi And Tl For Rare Earth Elements In Superconducting Rba2cu3oy, Jian Tang

Theses

Substitution of some other elements for rare earth or yttrium in high-Tc superconducting RBa2Cu3Oy compounds (R = Y, Nd, etc.) may improve chemical and physical properties of the materials, shed light on the superconducting mechanism of the new materials, and help to find new superconducting materials with even higher transition temperatures.

Bi3+ and Tl3+ have been reported earlier to result in higher Tc's in the related layer-structure compounds. The effect of electronegativity on superconductivity could be studied if substitution of Bi or Tl for Y or other rare earth elements …


Use Of Affinity Chromatography In Developing Acridinium Ester-Labeled Antibodies For An Immunometric Assay Of Parathyrin, David S. Hage, Bob Taylor, Pat Schryver, Pai C. Kao Jan 1991

Use Of Affinity Chromatography In Developing Acridinium Ester-Labeled Antibodies For An Immunometric Assay Of Parathyrin, David S. Hage, Bob Taylor, Pat Schryver, Pai C. Kao

David Hage Publications

In developing an immunometric assay of intact parathyrin (parathyroid hormone, PTH), we found that affinity chromatography is a useful tool in purifying and optimizing the labeling conditions for acridinium ester-labeled antibodies. ... In summary, affinity chromatography was found to be useful in the purification of acridinium ester-labeled antibodies, particularly for removing denatured antibodies from the prepared label and for monitoring the amount of active labeled antibodies produced.


Observation Of Eliminative Cationic Polymerization Within Van Der Waals Clusters, M. Samy El-Shall, K. E. Schriver Jan 1991

Observation Of Eliminative Cationic Polymerization Within Van Der Waals Clusters, M. Samy El-Shall, K. E. Schriver

Chemistry Publications

We report the first observation of eliminative cationic polymerization within van der Waals (vdW) clusters following electron impact ionization at pressures of 10−8 Torr. The elimination reactions of C2H3Cl+ within the clusters terminate after three successive steps, each involving elimination of HCl or Cl. The results provide a mechanism for the early stages of gas phase cationic polymerization of vinyl chloride and demonstrate the feasibility of using vdW clusters as a means of studying gas phase cationic polymerization.


Development, Justification, And Use Of A Projection Operator In Path Integral Calculations In Continuous Space, Randall W. Hall, Melissa R. Prince Jan 1991

Development, Justification, And Use Of A Projection Operator In Path Integral Calculations In Continuous Space, Randall W. Hall, Melissa R. Prince

Collected Faculty Scholarship

A projection operator, similar to one previously used by us for problems with a finite set of basis functions, is suggested for use with continuous basis sets. This projection operator requires knowledge of the nodes of the density matrix at all temperatures. We show that a class of nodes, determined from the noninteracting density matrix and present at high temperatures in the interacting system are preserved to first order in the interaction at low temperatures. While we cannot show that the nodes are present at intermediate temperatures, we suspect they do exist and, as a test of this conjecture, we …


Path Integral Studies Of The 2d Hubbard Model Using A New Projection Operator, Randall W. Hall Jan 1991

Path Integral Studies Of The 2d Hubbard Model Using A New Projection Operator, Randall W. Hall

Collected Faculty Scholarship

Feynman’s path integral formulation of quantum mechanics, supplemented by an approximate projection operator (exact in the case of noninteracting particles), is used to study the 2D Hubbard model. The projection operator is designed to study Hamiltonians defined on a finite basis set, but extensions to continuous basis sets are suggested. The projection operator is shown to reduce the variance by a significant amount relative to straightforward Monte Carlo integration. Approximate calculations are usually within one standard deviation of exact results and virtually always within two to three standard deviations. In addition, the algorithm scales with the number of discretization points …