Now showing items 1547-1566 of 10883

  • Computational Insight into Rh-103 Chemical Shift-Structure Correlations in Rhodium Bis(phosphine) Complexes 

    Ortuno, Manuel A.; Castro, Ludovic; Buehl, Michael (2013-11-11) - Journal article
    103RhNMR chemical shifts have been computed at the GIAO-B3LYP level of density functional theory (DFT) for a number of [Rh(COD)(P∩P)]+ complexes [COD = 1,5-cyclooctadiene, P∩P = chelating bis(phosphine) including ...
  • Computational studies of biomolecules 

    Chen, Sih-Yu (University of St Andrews, 2017-06-21) - Thesis
    In modern drug discovery, lead discovery is a term used to describe the overall process from hit discovery to lead optimisation, with the goal being to identify drug candidates. This can be greatly facilitated by the use ...
  • Computational, experimental, and statistical analyses of social learning in humans and animals 

    Whalen, Andrew (University of St Andrews, 2016-07-22) - Thesis
    Social learning is ubiquitous among animals and humans and is thought to be critical to the widespread success of humans and to the development and evolution of human culture. Evolutionary theory, however, suggests that ...
  • Computer-aided parameter selection for resistance exercise using machine vision-based capability profile estimation 

    Arandelovic, Ognjen (2017-12) - Journal article
    The penetration of mathematical modelling in sports science to date has been highly limited. In particular and in contrast to most other scientific disciplines, sports science research has been characterized by comparatively ...
  • Computerized self-administered measures of mood and appetite for older adults : the Novel Assessment of Nutrition and Ageing toolkit 

    Brown, Laura J E; Adlam, Tim; Hwang, Faustina; Khadra, Hassan; Maclean, Linda M; Rudd, Bridey; Smith, Tom; Timon, Claire; Williams, Elizabeth A; Astell, Arlene J (2016-02-10) - Journal article
    The "Novel Assessment of Nutrition and Ageing" (NANA) toolkit is a computerized system for collecting longitudinal information about older adults' health and behavior. Here, we describe the validation of six items for ...
  • Computing finite semigroups 

    East, J.; Egri-Nagy, A.; Mitchell, J. D.; Péresse, Y. (2015-10-07) - Journal article
    Using a variant of Schreier's Theorem, and the theory of Green's relations, we show how to reduce the computation of an arbitrary subsemigroup of a finite regular semigroup to that of certain associated subgroups. Examples ...
  • Computing in matrix groups without memory 

    Cameron, Peter Jephson; Fairbairn, Ben; Gadouleau, Maximilien (2014-11-02) - Journal article
    Memoryless computation is a novel means of computing any function of a set of registers by updating one register at a time while using no memory. We aim to emulate how computations are performed on modern cores, since they ...
  • Computing in permutation groups without memory 

    Cameron, Peter Jephson; Fairbairn, Ben; Gadouleau, Maximilien (2014-11-02) - Journal article
    Memoryless computation is a new technique to compute any function of a set of registers by updating one register at a time while using no memory. Its aim is to emulate how computations are performed in modern cores, since ...
  • Computing partition functions of PCFGs 

    Nederhof, Mark Jan; Satta, Giorgio (2008-10) - Journal article
    We investigate the problem of computing the partition function of a probabilistic context-free grammar, and consider a number of applicable methods. Particular attention is devoted to PCFGs that result from the intersection ...
  • Computing the aqueous solubility of organic drug-like molecules and understanding hydrophobicity 

    McDonagh, James L. (University of St Andrews, 2015-06-24) - Thesis
    This thesis covers a range of methodologies to provide an account of the current (2010-2014) state of the art and to develop new methods for solubility prediction. We focus on predictions of intrinsic aqueous solubility, ...
  • The concept of "the human" in the work of Hermann Hesse and Paul Tillich 

    Franklin, Wilbur B. (University of St Andrews, 1977) - Thesis
    "The Concept of 'the Human' in the Work of Hermann Hesse and Paul Tillich" is an interdisciplinary study in theology and literature. Three chapters each on Hesse and Tillich discuss the life work, and critical significance ...
  • The concept of enmity in the political philosophy of Hobbes 

    Jaede, Maximilian (University of St Andrews, 2015-06-23) - Thesis
    To the author’s knowledge, this is the first systematic study of the concept of enmity in the political philosophy of Thomas Hobbes. Examining this important category does not only elucidate the concept itself, but also ...
  • The concept of happiness in Kant's moral, legal and political philosophy 

    Pinheiro Walla, Alice (University of St Andrews, 2012-11-30) - Thesis
    This doctoral thesis analyzes the systematic role of Kant’s conception of happiness in his moral, legal and political theory. Although many of his conclusions and arguments are directly or indirectly influenced by his ...
  • Concepts and meaning in medieval philosophy 

    Read, Stephen (Fordham University Press, 2014-12) - Book item
    In his recent study, Concepts, Fodor identifies five nonnegotiable constraints on any theory of concepts. These theses were all shared by the standard medieval theories of concepts. However, those theories were cognitivist, ...
  • Concepts in context 

    Onofri, Andrea (University of St Andrews, 2013) - Thesis
    My thesis tackles two related problems that have taken center stage in the recent literature on concepts: • What are the individuation conditions of concepts? Under what conditions is a concept C₁ the same concept ...
  • Concepts of folly in English Renaissance literature : with particular reference to Shakespeare and Jonson 

    Bulman, Helen Lois (University of St Andrews, 1991) - Thesis
    Chapter 1 considers Barclay's 'Ship of Fools' in relation to other folly literature in English, particularly Lydgate's 'Order of Fools', Skelton's 'Bowge of Courte', and 'Cocke Lorrel's Bote'. Motifs, allegories and the ...
  • Conceptual assessment tool for advanced undergraduate electrodynamics 

    Baily, Charles; Ryan, Qing; Astolfi, Cecilia; Pollock, Steven (2017-09-05) - Journal article
    As part of ongoing investigations into student learning in advanced undergraduate courses, we have developed a conceptual assessment tool for upper-division electrodynamics (E&M II): the Colorado UppeR-division ElectrodyNamics ...
  • A conceptual framework for assessing the ecosystem service of waste remediation: in the marine environment 

    Watson, Stephen C. L.; Paterson, David M.; Queirós, Ana M.; Rees, Andrew P.; Stephens, Nicholas; Widdicombe, Stephen; Beaumont, Nicola J. (2016-07-21) - Journal article
    In the marine environment, the ecosystem service of Waste Remediation (WR) enables humans to utilise the natural functioning of ecosystems to process and detoxify a large number of waste products and therefore avoid harmful ...
  • Conceptual room for ontic vagueness 

    Barnes, Elizabeth (University of St Andrews, 2007-06-20) - Thesis
    This thesis is a systematic investigation of whether there might be conceptual room for the idea that the world itself might be vague, independently of how we describe it. This idea – the existence of so-called ontic ...
  • Conceptualising energy prosumption : exploring energy production, consumption and microgeneration in Scotland, UK 

    Ellsworth-Krebs, Katherine; Reid, Louise (2016-10) - Journal article
    Energy prosumption has become a common phrase as more householders and communities are producing and consuming their own electricity and heat. Prosumption is a combination of two words: production and consumption, and ...