Atomic And Molecular Photoelectron Spectroscopy Studies Using Synchrotron Radiation

Using photons from the Canadian Synchrotron Radiation Facility (CSRF) at the Tantalus electron storage ring, gas phase photoelectron spectra of the Xe 4d(,3/2,5/2) core level, and the valence orbitals of CF(,4), SiF(,4), CF(,3)I, and XeF(,2) have been obtained as a function of photon energy. Theoretical branching ratios and partial cross sections obtained from MS-X(alpha) calculations, are compared with experiment for the molecular cases. These atomic and molecular systems were studied in order to further our understanding of shape resonances and many-body effects in photoionization.;The Xe 4d(,5/2):4d(,3/2) spin-orbit branching ratio has been accurately determined from 74 to 150 eV photon energy. There is good qualitative agreement between these values and the latest relativistic random-phase approximation (RRPA) calculations of Cheng and Johnson. It is proposed that deviations in the minimum region arise from the neglect of relaxation effects during photoionization.;Valence orbital branching ratios for CF(,4), SiF(,4), and CF(,3)I have been obtained from 21 to (TURN)100 eV photon energy. In general, the agreement between experiment and the MS-X(alpha) results is good. In contrast to the CF(,4) results which show little structure, five shape resonances are predicted for SiF(,4) at 3, 7, 13, 23, and 35 eV kinetic energies. Similarly, two shape resonances at 15 and 17 eV kinetic energies are predicted for CF(,3)I. Although much of the behavior of CF(,3)I is very similar to CF(,4), weak shape resonances at (TURN)13 eV kinetic energy have been observed on the 3e, 2e, and 1e orbitals. Intershell correlation effects in CF(,3)I have been found to occur above the I 4d edge on the I 5p lone pair orbital (4e).;Similarly, valence orbital branching ratios have been obtained for XeF(,2) from 21 to 50 eV photon energy. A number of strong resonances are predicted and observed, in spite of the apparent lack of appropriate valence virtual orbitals and the long bond distance

Using A Project To Add Practicality To Pedagogy

In the marketing research class taught at University of South Carolina, Upstate School of Business and Economics, pedagogical emphasis is placed on the marketing research process as it relates to the policies and functions of the business enterprise. Historically, the marketing research project has been used in this undergraduate class to convey the nuances of market research to students. Participating students define the problem or opportunity for their client, determine budgets and timetables, select and design the research instrument(s), collect the data, organize and analyze the data, and present the project findings. A recent project, which involved work for the City of Sunshine, identified, measured, and analyzed specific “quality of life” variables and assessed the impact of the city’s revitalization efforts on the perceptions of its citizens. The study targeted three population sectors using questionnaires for data collection. The data was consolidated and analyzed by the students using WebSurveyor’s online survey tools. Comparative analysis was also performed using secondary data sources such as city tourism and visitor information, as well as sundry information from previous projects and similar city revitalization plans. The results of their analysis and corresponding conclusions are outlined in this paper

For the Times they Are A-Changin\u27: Explaining Voting Patters of U.S. Supreme Court Justices through Identification of Micro-Publics

In assessing how social forces may shape U.S. Supreme Court Justices’ decision-making it has been presumed that there is a singular public opinion and that this opinion affects each individual Justice in largely the same fashion. We suggest that it is more likely the case that Justices’ world views are informed and shaped by a myriad of social concerns and group identities upon which the Justices structure and process their experiences and develop and refine their personal schemas. While some have already begun to question the proposition of a monolithic public opinion influence on judicial behavior and have begun to think carefully about what we term the “micro-publics” that may inform Supreme Court Justices’ decision-making, the more tangible questions of whether Justices respond to publics that are distinguishable from broad-based national public opinion and what those micro-publics might be remain largely unanswered. Our study focuses on the potential influence of localized and personal micro-publics and the possibility of partisan-based elite influence on judicial behavior. We test our hypotheses by analyzing the voting record of Supreme Court Justices on civil liberties cases from 1977 to 2003 and find encouraging initial support for our theory

Factors Dictating Carbene Formation at (PNP)Ir

The mechanistic subtleties involved with the interaction of an amido/bis(phosphine)-supported (PNP)Ir fragment with a series of linear and cyclic ethers have been investigated using density functional theory. Our analysis has revealed the factors dictating reaction direction toward either an iridium-supported carbene or a vinyl ether adduct. The (PNP)Ir structure will allow carbene formation only from accessible carbons α to the ethereal oxygen, such that d electron back-donation from the metal to the carbene ligand is possible. Should these conditions be unavailable, the main competing pathway to form vinyl ether can occur, but only if the (PNP)Ir framework does not sterically interfere with the reacting ether. In situations where steric hindrance prevents unimpeded access to both pathways, the reaction may progress to the initial C−H activation but no further. Our mechanistic analysis is density functional independent and whenever possible confirmed experimentally by trapping intermediate species experimentally. We have also highlighted an interesting systematic error present in the DFT analysis of reactions where steric environment alters considerably within a reaction

A generic approach for Science

Along with most other universities in Australia, our university and our faculty have developed policies relating to the teaching of generic attributes. Recently a team of us (Brian Yates – School of Chemistry, Julian Dermoudy – School of Computing, Christine Evans – Science Library, Greg Hannan – School of Psychology, Sue Jones – School of Zoology, Kristen Karsh – Centre for Advancement of Learning and Teaching, and Jon Osborn – School of Geography and Environmental Studies) received a UTAS Teaching Development Grant to design a generic attributes curriculum for a range of disciplines across the Faculty of Science, Engineering and Technology (SET). The objectives of this project are: 1. Develop Faculty of SET and discipline-specific statements of generic graduate attributes 2. Develop a generic attributes curriculum for each discipline 3. Map current teaching against that curriculum, and 4. Develop a Faculty-wide approach for coordinating the incorporation of generic attributes into the degrees offered by the Faculty. This project has brought together staff from across a number of science departments together with support staff from two key areas that feed into the teaching and learning at our university. An example of how the project has been applied for the discipline of chemistry is described in this poster

Reusing Data and Metadata to Create New Metadata Through Machine-Learning & Other Programmatic Methods

Recent improvements in natural language processing (NLP) enable metadata to be created programmatically from reused original metadata or even the dataset itself. Transfer-learning applied to NLP has greatly improved performance and reduced training data requirements. In this talk, well compare machine-generated metadata to human-generated metadata and discuss characteristics of metadata and data archives that affect suitability for machine-learning reuse of metadata. Where as human-generated metadata is often populated once, populated from the perspective of data supplier, populated by many individuals with different words for the same thing, and limited in length, machine-generated metadata can be updated any number of times, generated from the perspective of any user, constrained to a standardized set of terms that can be evolved over time, and be any length required. Machine-learning generated metadata offers benefits but also additional needs in terms of version control, process transparency, human-computer interaction, and IT requirements. As a successful example, well discuss how a dataset of abstracts and associated human-tagged keywords from a standardized list of several thousand keywords were used to create a machine-learning model that predicted keyword metadata for open-source code projects on code.nasa.gov. Well also discuss a less successful example from data.nasa.gov to show how data archive architecture and characteristics of initial metadata can be strong controls on how easy it is to leverage programmatic methods to reuse metadata to create additional metadata