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  • 1
    Publication Date: 2020-01-16
    Description: The simulation of open molecular systems requires explicit or implicit reservoirs of energy and particles. Whereas full atomistic resolution is desired in the region of interest, there is some freedom in the implementation of the reservoirs. Here, a combined, explicit reservoir is constructed by interfacing the atomistic region with regions of point-like, non-interacting particles (tracers) embedded in a thermodynamic mean field. The tracer molecules acquire atomistic resolution upon entering the atomistic region and equilibrate with this environment, while atomistic molecules become tracers governed by an effective mean-field potential after crossing the atomistic boundary. The approach is extensively tested on thermodynamic, structural, and dynamic properties of liquid water. Conceptual and numerical advantages of the procedure as well as new perspectives are highlighted and discussed.
    Language: English
    Type: article , doc-type:article
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  • 2
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    Cambridge, Mass., etc., : Periodicals Archive Online (PAO)
    Greek, Roman and Byzantine Studies. 14:4 (1973:Winter) 425 
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  • 3
    Electronic Resource
    Electronic Resource
    Oxford, UK and Boston, USA : Blackwell Publishers Ltd
    Industrial relations journal 31 (2000), S. 0 
    ISSN: 1468-2338
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Economics
    Notes: In January 1999, 11 member countries of the European Union ‘irrevocably’ locked the foreign exchange values of their currencies to the euro, and they committed themselves to abandon their currencies in favour of the euro in 2002. As a result, these countries ceased to operate independent monetary policies. Monetary policy for the whole euro-zone became the responsibility of the European Central Bank (ECB), whose primary objective is to maintain a low and stable rate of price inflation for the euro currency. The rules governing Economic and Monetary Union (EMU) were laid down in the treaty of Maastricht in 1992. As conditions for entry to EMU, the treaty specified ‘convergence criteria’ which consisted of upper limits for several macroeconomic aggregates including, notably, a 3 per cent maximum for the ratio of the public sector deficit to GDP and 60 per cent for the ratio of public debt to GDP.1 In February 1998 the 11 applicant countries submitted statistical analyses relating to their satisfaction of these conditions. Despite doubts as to whether some of them had strictly met the conditions, the European Commission deemed them all eligible, and the euro was launched.2 The British government, though more clearly eligible than most other EU countries on the basis of the convergence criteria, decided to defer its decision on entry. In this paper we consider the arguments for and against Economic and Monetary Union, and in particular whether it would be in Britain’s interest to join. We begin with a brief review of the state of the European economy and an analysis of the first year performance of the new Euro currency.[Upper limi][Notable ca]
    Type of Medium: Electronic Resource
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  • 4
    ISSN: 1471-0528
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Medicine
    Notes: We investigated the possibility of preterm birth misclassification as a determinant of variation in its reported rates. Using a database of 497,105 deliveries from 17 hospitals, the best estimate of gestational age made at delivery and entered into the database at that time was recalculated from the menstrual dates and mid-trimester ultrasound scan. The recalculated completed weeks of gestation at delivery was compared with that made at birth. Calculation of estimated gestational age varied between hospitals due to inconsistencies in ‘rounding’ and ‘truncating’ the weeks of gestation at delivery. This resulted in preterm birth misclassification rates of up to 10.1%.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Bingley : Emerald
    Personnel review 31 (2002), S. 62-85 
    ISSN: 0048-3486
    Source: Emerald Fulltext Archive Database 1994-2005
    Topics: Economics
    Notes: This paper considers the impact of the Investors in People (IIP) Standard upon small- to medium-sized enterprises (SMEs) in the Midlands. The paper describes IIP, then considers the significance of SMEs and the impact of training and development in that sector. The paper then presents an analytical framework, firmly rooted in a literature review, that provides the basis for an examination of the reasons why SMEs might commit (or fail to commit) to IIP, the difficulties encountered and the benefits received. Our empirical findings are discussed in the context of this framework. These findings are based on questionnaire responses from almost 600 SMEs, and interviews with promoters of IIP. Some key responses are broken down according to size-band and/or growth-orientation. In addition, follow-up interviews were conducted with selected firms, ranging from IIP enthusiasts to rejecters. This study therefore combines quantitative data with qualitative input. The attitudes and experiences of the respondents offer fresh insight into the appropriateness of IIP as an organisational development tool for the SME sector. The SME support network in England and Wales is undergoing a critical transition. The role of the Training and Enterprise Councils in promoting IIP to SMEs also comes under scrutiny, and our study has lessons for the promotion of IIP by the new learning and skills councils.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Bradford : Emerald
    Employee relations 21 (1999), S. 296-311 
    ISSN: 0142-5455
    Source: Emerald Fulltext Archive Database 1994-2005
    Topics: Economics
    Notes: The topic of management training and development (MTD) in small businesses is relatively under-researched, and an increased understanding of the factors influencing the purchase of MTD by small businesses is needed. Therefore, a survey of 551 small businesses in the Midlands region of the UK sought to: identify influences on MTD investment and preferred MTD activities; and establish whether small businesses perceive a link between investment in MTD and business success. Interviews were also conducted with 12 organisations. Results show that the organisational characteristics of ownership, size, number of managers and family management have a significant influence on MTD investment. Of the sample organisations, 85 per cent considered investment in MTD to be linked to business success and 80 per cent of organisations engaged in some form of MTD. However, promoters of MTD to small businesses need to recognise that organisations in this sector are not homogeneous and desire customised training.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Cambridge : Cambridge University Press
    The @classical review 21 (1971), S. 9-9 
    ISSN: 0009-840X
    Source: Cambridge Journals Digital Archives
    Topics: Classical Studies
    Type of Medium: Electronic Resource
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  • 8
    ISSN: 1476-4687
    Source: Nature Archives 1869 - 2009
    Topics: Biology , Chemistry and Pharmacology , Medicine , Natural Sciences in General , Physics
    Notes: [Auszug] The colonization of Eurasia by early humans is a key event after their spread out of Africa, but the nature, timing and ecological context of the earliest human occupation of northwest Europe is uncertain and has been the subject of intense debate. The southern Caucasus was occupied about 1.8 ...
    Type of Medium: Electronic Resource
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  • 9
    ISSN: 1365-2486
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Biology , Energy, Environment Protection, Nuclear Power Engineering , Geography
    Notes: Heather plants (Calluna vulgaris (L.) Hull) were grown for two years (April 1994–October 1996) under ambient or enhanced ultraviolet-B radiation (UVB: 280–315 nm), provided as a modulated treatment simulating a 15% ozone depletion (seasonally adjusted). Populations of the psyllid (Strophingia ericae (Curtis)) were measured before treatment and at yearly intervals thereafter. Before treatment there was no significant difference in the psyllid populations between treatments, or between the experimental and source populations. Enhanced UVB progressively produced a reduction in S. ericae populations compared with controls over 27 months. Analyses of C, N, total water soluble phenolics, total free amino acids and measurements of leaf angles and distances between leaflets demonstrated no effects of UVB treatment. However, concentrations of the amino acid isoleucine were lower (28%) in C. vulgaris exposed to the enhanced UVB treatment. Over the duration of the experiment the psyllid population structure at Lancaster changed from that typical of the upland site of origin (two-year cycle with overlapping cohorts) to a one-year life cycle typical of lowland sites, but this was independent of UVB treatments.Reduced isoleucine might explain the negative effects of elevated UVB on psyllid population numbers, but the precise effects of UVB on host chemistry and morphology are unknown. The problem of interpreting herbivore responses to enhanced UVB treatments in the field is discussed.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Oxford BSL : Blackwell Publishing Ltd
    Global change biology 3 (1997), S. 0 
    ISSN: 1365-2486
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Biology , Energy, Environment Protection, Nuclear Power Engineering , Geography
    Notes: Five species of sap-feeding homoptera were studied on Fagus sylvatica and Acer pseudoplatanus and exposed to elevated concentrations of carbon dioxide (600 μL L–1). The concentration of total soluble amino acids in foliage of F. sylvatica was unaffected by growing saplings in elevated atmospheric CO2 concentrations. Although experiments on individual aphids indicated poorer performance of Phyllaphis fagi (fewer, smaller nymphs produced), resultant populations did not differ from those in ambient (350 μL L–1) conditions. The area of beech foliage stippled by the leafhopper Fagocyba cruenta was similar at ambient and elevated CO2 concentrations. The concentration of total amino acids and that of serine of A. pseudoplatanus foliage were significantly lower at elevated CO2 concentrations. However, the relative growth rates of two aphid species Drepanosiphum platanoidis and Periphyllus testudinaceus and one leafhopper Ossiannilssonola callosa were not significantly different in elevated CO2. No evidence was found that, under the conditions of these experiments, populations of aphids and leafhoppers will change as concentrations of CO2 increase.
    Type of Medium: Electronic Resource
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