1,435 research outputs found

    Towards a fuller understanding of selected molecular compounds

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    This work is separated into two distinct sections. The first section deals with the analysis by variable temperature single crystal X-ray diffraction of crystalline molecular materials with novel physical properties. The second section details the electron density analysis of selected crystalline compounds using high resolution, low temperature single crystal X-ray diffraction. Chapter 1 provides introduction to X-ray diffraction outlining the theory this work is based on. Chapter 2 introduces the molecular material studies based on materials containing the bis(ethylenedithio)-tetrathiaftilvalene molecule. The aim of these studies was to achieve a greater understanding of the materials and the changes they undergo when exposed to variations in temperature whilst in the crystalline state. These structural changes observed are very minor but have dramatic effects on the electrical properties of the materials studied. It became apparent that the only way to form a full understanding of these materials was to be able to 'see' the electronic configuration of the materials, not just their gross structure. The field of electron density analysis by X- ray diffraction is now a well documented area. Chapter 4 provides an introduction to the field of electron density analysis. Diffraction experiments were conducted on systems of different complexity to investigate this field and these results are reported in Chapter 5. No electron density analyses have been conducted on the molecular materials studied in Chapter 3 as yet, due to the lack of crystals of suitable quality. It was also noted that to fully categorise the nature of the physical changes occurring in these structures that a diffractometer capable of analysing these samples throughout the temperature range of their physical phenomena was needed. An outline for the development of such a diffractometer is detailed in Chapter 6, 'future works'

    Authentic Intervention in Information Systems Practice

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    In this paper the philosophical concept of authenticity is used as a framing device for providing an interpretation of aspects of both ethical and practical action on the part of information systems (IS) professionals. It is argued that ethical codes and IS methods may be of limited value in IS work. Both ethical codes and IS methods are complicated by the need to adopt positions on, and give recommendations about, IS practice. One key problem here is that IS analysts and designers have to intervene in organisations (and thereby intervene in the lives of the members of those organisations). It is argued that an important issue for IS research is whether they to do so in (what will be characterised as) an authentic manner, or in sincere adherence with either a code of professional ethics or with a series of methodological precepts

    Comparison of Simulation Codes for the Beam Dynamics of Low-Energy Ions

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    Results are presented of the simulation of low–energy ion dynamics with three different codes: KOBRA, IGUN and CPO. To share work between different codes one needs to be confident that they agree. For test cases, good agreement was found between the codes and analytical solutions. Where possible, results have been compared to experimental data from the CERN Laser Ion Source. These simulations are in general agreement with the data of the real beam line. c The following article has been submitted to Review of Scientific Instruments. After it is published, it will be found at http://ojps.aip.org/rsio/

    Avoiding Attention? Assessing the Reasons for Register Office Weddings in Victorian England and Wales

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    This is the final version. Available on open access from Routledge via the DOI in this recordThe option of getting married in a register office was introduced by the Marriage Act 1836, and over the course of Victoria’s reign over a million couples availed themselves of it. Yet surprisingly little is known about them. This article analyses information about 286 register office weddings celebrated between 1837 and 1901, with examples from 40 counties and 151 different registration districts. It shows that, while those marrying in a register office were drawn from across the social scale and of a median age broadly in line with the national average, brides and grooms from older age groups were overrepresented, reflecting the fact that a higher percentage of marriages in the register office were remarriages for one or both of the parties. Further analysis of their marital histories shows that earlier or subsequent weddings had often taken place in a church, indicating that marriage in a register office cannot be interpreted as evidence of an ideological preference for civil marriage. Some couples chose to marry in a register office because of a desire to keep the wedding private. Others did so because of practical considerations of location, cost, and speed, but these were dependent on the local context and were not static over time. As this indicates, in assessing the reasons for register office weddings, it is important to locate it in the context of an individual’s life history
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