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" Chemical modelling : "
editors J.-O. Joswig (Technische Universität Dresden, Dresden, Germany), M. Springborg (University of Saarland, Saarbrücken, Germany) ; Authors Alexey I. Baranov (Max Planck Institute for Chemical Physics of Solids and TU Dresden, Germany) [und 25 andere].
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BL
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764951
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b584932
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| Main Entry
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editors J.-O. Joswig (Technische Universität Dresden, Dresden, Germany), M. Springborg (University of Saarland, Saarbrücken, Germany) ; Authors Alexey I. Baranov (Max Planck Institute for Chemical Physics of Solids and TU Dresden, Germany) [und 25
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Chemical modelling : : volume 12\ editors J.-O. Joswig (Technische Universität Dresden, Dresden, Germany), M. Springborg (University of Saarland, Saarbrücken, Germany) ; Authors Alexey I. Baranov (Max Planck Institute for Chemical Physics of Solids and TU Dresden, Germany) [und 25 andere].
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| Publication Statement
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Cambridge : Royal Society of Chemistry, [, 2016]
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A specialist periodical report; RSC e-book collection
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(xi, 350 Seiten)
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| ISBN
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1782621156
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: 1782622705
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: 1782627707
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: 9781782621157
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: 9781782622703
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: 9781782627708
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| Contents
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Preface; Toward accurate coarse-graining approaches for protein and membrane simulations; Chemical bonding in solids: recovering chemical concepts in the realm of infinite periodic structures; Vibrational quantum dynamics at metallic surfaces; Theoretical studues of supercapcitors; Nanotubes with well-defined structure: imogolites; Application of DFT modeling in Fischer-Tropsch synthesis over Co-based catalysts; Structure prediction and its applications in computational materials design; Ab initio global optimization of clusters; Nitrogen- and phosphine-binding ligands in interaction with gold atoms, clusters, nanoparticles and surfaces
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| LC Classification
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QD480.E358 2016
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Alexey I Baranov
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Jan-Ole Joswig
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Michael Springborg
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