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Kvantekemi og teoretisk kemi
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Many-Electron Approaches in Physics, Chemistry and Mathematics: A Multidisciplinary View (Bog, Hardback, Engelsk)This book provides a broad description of the development and (computational) application of many-electron approaches from a multidisciplinary perspective.
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Digital Simulation in Electrochemistry (Bog, Hardback, Engelsk)This book explains how the partial differential equations (pdes) in electroanalytical chemistry can be solved numerically. It guides the reader through the topic... Læs mere
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Quantum Modeling of Complex Molecular Systems (Bog, Paperback / softback, Engelsk)Levering: Skaffevare (forvent 14 - 30 hverdage) -
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Nanoscale Fluid Transport: From Molecular Signatures to Applications (Bog, Paperback / softback, Engelsk)This thesis demonstrates how molecular modeling techniques can be used to gain significant insights into numerous applications that are increasingly attracting research interest because of their societal importance.
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Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer (Bog, Paperback / softback, Engelsk)Levering: Skaffevare (forvent 14 - 30 hverdage) -
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Dynamics in Enzyme Catalysis (Bog, Paperback / softback, Engelsk)Cindy Schulenburg and Donald Hilvert, Protein Conformational Disorder and Enzyme Catalysis. Brooks III, Multiple Intermediates, Diverse Conformations, and Cooperative Conformational Changes Underlie the Catalytic Hydride Transfer Reaction of Dihydrofolate Reductase.
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Molecular Similarity II (Bog, Paperback / softback, Engelsk)Levering: Skaffevare (forvent 14 - 30 hverdage) -
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High Performance Computing in Science and Engineering '11: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2011 (Bog, Paperback / softback, Engelsk)As HLRS operates not only a large cluster system but also one of the largest NEC vector systems in the world, this book also offers excellent insights into the potential of vector systems.
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Reactive Flows, Diffusion and Transport: From Experiments via Mathematical Modeling to Numerical Simulation and Optimization (Bog, Paperback / softback, Engelsk)The modeling uses multiscale techniques for nonlinear differential equations while for the numerical simulation and optimization goal-oriented mesh and model adaptivity, multigrid techniques and advanced Newton-type methods are developed combined with parallelization.
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High Performance Computing in Science and Engineering, Garching/Munich 2009: Transactions of the Fourth Joint HLRB and KONWIHR Review and Results Workshop, Dec. 8-9, 2009, Leibniz Supercomputing Centre, Garching/Munich, Germany (Bog, Paperback / softback, Engelsk)Similar to the workshop two years ago, the majority of the contributed papers belong to the area of computational ?uid dynamics (CFD), condensed matter physics, astrophysics, chemistry, computer sciences and high-energy physics.
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Computerapplikationen in der Mitteldeutschen Chemieregion – ein historischer Abriss (Bog, Paperback / softback, Tysk)Die Breite der Applikationen von der Moleküldarstellung, der Datenbankrecherche, Fuzzy-Prozesskontrolle der Simulation der Karzinogenität und des Sensorbaus und des Bioabbaus basiert auf einer geschicktenmultivariaten Verwendung der Algorithmen.
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Practical Chemoinformatics (Bog, Hardback, Engelsk)Chemoinformatics is equipped to impact our life in a big way mainly in the fields of chemical, medical and material sciences. This book is a product of several years of... Læs mere
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