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  • GEOMAR Catalogue / E-Books  (18)
  • Berlin-Dahlem : ZIB  (11)
  • Milton :Taylor & Francis Group,  (7)
  • 1
    Online Resource
    Online Resource
    Milton :Taylor & Francis Group,
    Keywords: Environmental economics. ; Electronic books.
    Type of Medium: Online Resource
    Pages: 1 online resource (357 pages)
    Edition: 1st ed.
    ISBN: 9781482243062
    Language: English
    Note: Front Cover -- Dedication -- Contents -- List of Figures -- List of Tables -- Acknowledgments -- 1. Introduction -- 2. Review of Microeconomic Tools -- 3. Indicators of Environmental and Economic Well-Being -- 4. Economic Growth and the Environment -- 5. Joint Production of Desirable and Undesirable Outputs -- 6. Estimating Environmental Performance -- 7. Public Goods and Bads -- 8. Externalities and Common Property Resources -- 9. Valuing Environmental Resources -- 10. Endangered Species -- 11. Interest Rates, Cost& -- #8211 -- Benefit Analysis, and Nonrenewable Resources -- 12. Renewable Resources -- 13. Transaction Costs and Institutional Choice -- 14. Retrospect and Future Prospects -- Answers to Selected End of Chapter Questions -- Bibliography.
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  • 2
    Online Resource
    Online Resource
    Milton :Taylor & Francis Group,
    Keywords: Phosphors. ; Electronic books.
    Description / Table of Contents: Addressesing practical and theoretical aspects of inorganic phosphors, authors Yen and Weber expand on the core research of Willi Lehmann and present the synthesis of phosphors in a "cookbook" style featuring nearly 300 "recipes". They use the most up-to-date guidelines and methods to yield optimum light output, such as sol-gel and combustion syntheses. In addition, they contribute their expertise in spectroscopy and luminescence to categorize nearly 500 inorganic phosphors in terms of chemical composition and luminescence output wavelengths, summarizing their physical and emissive optical properties as well. This book is the first of its kind to provide a combined practical and technical foundation.
    Type of Medium: Online Resource
    Pages: 1 online resource (484 pages)
    Edition: 1st ed.
    ISBN: 9780203506325
    Language: English
    Note: Cover -- Title -- Copyright -- TABLE OF CONTENTS -- Foreword -- Preface -- The Editors -- Editorial Board -- Part 1: Lehmann's Phosphor Cookbook and Phosphor Tables -- Section 1: Introduction -- Section 2: Phosphor Preparation -- Section 3: Purification of Some Starting Materials -- Section 4: Phosphor Data -- Section 5: Preparation of Phosphor Screens -- Part 2: Additional Developments -- Section 6: Phosphor Synthesis -- Section 7: Other Phosphor Data -- Section 8: Commercial Phosphors and Scintillators -- Appendices -- Back Cover.
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  • 3
    Online Resource
    Online Resource
    Berlin-Dahlem : ZIB
    Keywords: Forschungsbericht ; Hochschulschrift
    Description / Table of Contents: The problem of clustering data can often be transformed into the problem of finding a hidden block diagonal structure in a stochastic matrix. Deuflhard et al. have proposed an algorithm that state s the number of clusters and uses the sign structure of eigenvectors of the stochastic matrix to solve the cluster problem. Recently Weber and Galliat discovered that this system of eigenvectors can easily be transformed into a system of membership functions or soft characteristic functions describing the clusters. In this article we explain the corresponding cluster algorithm and point out the underlying theory. By means of numerical examples we explain how the grade of membership can be interpreted.
    Type of Medium: Online Resource
    Pages: Online-Ressource (11 S., 268,5 KB)
    Series Statement: ZIB-report 2003, 4
    Language: English
    Note: Unterschiede zwischen dem gedruckten Dokument und der elektronischen Ressource können nicht ausgeschlossen werden , Auch als gedr. Ausg. vorhanden , Systemvoraussetzungen: Acrobat reader.
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  • 4
    Online Resource
    Online Resource
    Berlin-Dahlem : ZIB
    Keywords: Forschungsbericht
    Description / Table of Contents: The dynamic behavior of molecules can often be described by Markov processes. From computational molecular simulations one can derive transition rates or transition probabilities between subsets of the discretized conformational space. On the basis of this dynamic information, the spatial subsets are combined into a small number of so-called metastable molecular conformations. This is done by clustering methods like the Robust Perron Cluster Analysis (PCCA+). Up to now it is an open question how this coarse graining in space can be transformed to a coarse graining of the Markov chain while preserving the essential dynamic information. In the following article we aim at a consistent coarse graining of transition probabilities or rates on the basis of metastable conformations such that important physical and mathematical relations are preserved. This approach is new because PCCA+ computes molecular conformations as linear combinations of the dominant eigenvectors of the transition matrix which does not hold for other clustering methods.
    Type of Medium: Online Resource
    Pages: Online-Ressource (24 S., 892,3 KB)
    Series Statement: ZIB-report 2006,35
    Language: English
    Note: Unterschiede zwischen dem gedruckten Dokument und der elektronischen Ressource können nicht ausgeschlossen werden , Auch als gedr. Ausg. vorhanden , Systemvoraussetzungen: Acrobat reader.
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  • 5
    Online Resource
    Online Resource
    Berlin-Dahlem : ZIB
    Keywords: Hochschulschrift ; Forschungsbericht
    Description / Table of Contents: The key to molecular conformation dynamics is the direct identification of metastable conformations, which are almost invariant sets of molecular dynamical systems. Once some reversible Markov operator has been discretized, a generalized symmetric stochastic matrix arises. This matrix can be treated by Perron cluster analysis, a rather recent method involving a Perron cluster eigenproblem. The paper presents an improved Perron cluster analysis algorithm, which is more robust than earlier suggestions. Numerical examples are included.
    Type of Medium: Online Resource
    Pages: Online-Ressource (27 S., 1,02 MB)
    Series Statement: ZIB-report 2003, 19
    Language: English
    Note: Unterschiede zwischen dem gedruckten Dokument und der elektronischen Ressource können nicht ausgeschlossen werden , Auch als gedr. Ausg. vorhanden , Systemvoraussetzungen: Acrobat reader.
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  • 6
    Keywords: Forschungsbericht
    Description / Table of Contents: The complexity of molecular kinetics can be reduced significantly by a restriction to metastable conformations which are almost invariant sets of molecular dynamical systems. With the Robust Perron Cl uster Analysis PCCA+, developed by Weber and Deuflhard, we have a tool available which can be used to identify these conformations from a transition probability matrix. This method can also be applied to the corresponding transition rate matrix which provides important information concerning transition pathways of single molecules. In the present paper, we explain the relationship between these tw o concepts and the extraction of conformation kinetics from transition rates. Moreover, we show how transition rates can be approximated and conclude with numerical examples.
    Type of Medium: Online Resource
    Pages: Online-Ressource (15 S., 864,3 KB)
    Series Statement: ZIB-report 2005, 43
    Language: English
    Note: Systemvoraussetzungen: Acrobat reader.
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  • 7
    Keywords: Forschungsbericht
    Description / Table of Contents: This paper introduces a new algorithm of conformational analysis based on mesh-free methods as described in [#!PHDWeber!#]. The adaptive decomposition of the conformational space by softly limiting functions avoids trapping effects and allows adaptive refinement strategies. These properties of the algorithm makes ZIBgridfree particularly suitable for the complete exploration of high-dimensional conformational space. The adaptive control of the algorithm benefits from the tight integration of molecular simulation and conformational analysis. An emphasized part of the analysis is the Robust Perron Cluster Analysis (PCCA+) based on the work of Peter Deuflhard and Marcus Weber. PCCA+ supports an almost-characteristic cluster definition with an outstanding mapping of transition states. The outcome is expressed by the metastable sets of conformations, their thermodynamic weights and flexibility.
    Type of Medium: Online Resource
    Pages: Online-Ressource (11 S., 1,86 MB)
    Series Statement: ZIB-report 2005, 17
    Language: English
    Note: Systemvoraussetzungen: Acrobat reader.
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  • 8
    Keywords: Forschungsbericht
    Description / Table of Contents: The identification of metastable conformations of molecules plays an important role in computational drug design. One main difficulty is the fact that the underlying dynamic processes take place in high dimensional spaces. Although the restriction of degrees of freedom to a few dihedral angles significantly reduces the complexity of the problem, the existing algorithms are time-consuming. They are based on the approximation of transition probabilities by an extensive sampling of states according to the Boltzmann distribution. We present a method which can identify metastable conformations without sampling the complete distribution. Our algorithm is based on local transition rates and uses only pointwise information about the potential energy surface. In order to apply the cluster algorithm PCCA+, we compute a few eigenvectors of the rate matrix by the Jacobi-Davidson method. Interpolation techniques are applied to approximate the thermodynamical weights of the clusters. The concluding example illustrates our approach for epigallocatechine, a molecule which can be described by seven dihedral angles.
    Type of Medium: Online Resource
    Pages: Online-Ressource (20 S., 706,1 KB)
    Series Statement: ZIB-report 2006,1
    Language: English
    Note: Systemvoraussetzungen: Acrobat reader.
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  • 9
    Keywords: Forschungsbericht
    Description / Table of Contents: In order to compute the thermodynamic weights of the different metastable conformations of a molecule, we want to approximate the molecules Boltzmann distribution in a reasonable time. This is an essential issue in computational drug design. The energy landscape of active biomolecules is generally very rough with a lot of high barriers and low regions. Many of the algorithms that perform such samplings (e.g. the hybrid Monte Carlo method) have difficulties with such landscapes. They are trapped in low-energy regions for a very long time and cannot overcome high barriers. Moving from one low-energy region to another is a very rare event. For these reasons, the distribution of the generated sampling points converges very slowly against the thermodynamically correct distribution of the molecule. The idea of ConfJump is to use a priori knowledge of the localization of low-energy regions to enhance the sampling with artificial jumps between these low-energy regions. The artificial jumps are combined with the hybrid Monte Carlo method. This allows the computation of some dynamical properties of the molecule. In ConfJump, the detailed balance condition is satisfied and the mathematically correct molecular distribution is sampled.
    Type of Medium: Online Resource
    Pages: Online-Ressource (10 S., 253,7 KB)
    Series Statement: ZIB-report 2006,26
    Language: English
    Note: Unterschiede zwischen dem gedruckten Dokument und der elektronischen Ressource können nicht ausgeschlossen werden , Auch als gedr. Ausg. vorhanden , Systemvoraussetzungen: Acrobat reader.
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  • 10
    Keywords: Hochschulschrift ; Forschungsbericht
    Description / Table of Contents: The problem of clustering data can be formulated as a graph partitioning problem. Spectral methods for obtaining optimal solutions have reveceived a lot of attention recently. We describe Perron Cluster Cluster Analysis (PCCA) and, for the first time, establish a connection to spectral graph partitioning. We show that in our approach a clustering can be efficiently computed using a simple linear map of the eigenvector data. To deal with the prevalent problem of noisy and possibly overlapping data we introduce the min Chi indicator which helps in selecting the number of clusters and confirming the existence of a partition of the data. This gives a non-probabilistic alternative to statistical mixture-models. We close with showing favorable results on the analysis of gene expressi on data for two different cancer types.
    Type of Medium: Online Resource
    Pages: Online-Ressource (22 S., 588,3 KB)
    Series Statement: ZIB-report 2004, 39
    Language: English
    Note: Unterschiede zwischen dem gedruckten Dokument und der elektronischen Ressource können nicht ausgeschlossen werden , Auch als gedr. Ausg. vorhanden , Systemvoraussetzungen: Acrobat reader.
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