Chemical Modelling: Volume 11
<P>In a field as diverse as Chemical Modelling it can be difficult to keep up with the literature, or discover the latest applications of computational and theoretical chemistry. Specialist Periodical Reports present comprehensive and critical reviews of the recent literature, providing the reader with informed opinion and latest detailed information in their field.</P><P>The latest volume of Chemical Modelling presents a diverse range of authors invited by the volume editors to review and report the major developments in the field. Topics include Quantum Chemistry of Large Systems, Theoretical Studies of Special Relativity in Atoms and Molecules, MOFs: From Theory Towards Applications, and Multi-Scale Modelling. </P><P>For experienced researchers and those just entering the field of chemical modelling, this latest Specialist Periodical Report is an essential resource for any research group active in the field or chemical sciences library.</P>
Chemical Modelling: Volume 11, The Royal Society of Chemistry, 2014.
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Table of contents
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PrefaceByMichael Springborg;Michael SpringborgSchool of Materials Science and Engineering, Tianjin UniversityTianjin300072Peoples Republic of ChinaSearch for other works by this author on:Jan-Ole JoswigJan-Ole JoswigSearch for other works by this author on:
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Low-dimensional transition-metal dichalcogenidesp1-29ByAgnieszka KucAgnieszka KucSearch for other works by this author on:
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The rules of metastability: detailed transformation mechanisms in chemical elements by means of molecular dynamics techniquesp30-56ByStefano Leoni;Stefano LeoniDresden University of Technology, Institute of Theoretical ChemistryBergstrasse 66bD-01192DresdenGermanyUniversity of Berne, Department of Chemistry and BiochemistryFreiestrasse 3CH-3012BernSwitzerlandSearch for other works by this author on:Salah Eddine Boulfelfel;Salah Eddine BoulfelfelGeorgia Tech University, School of Chemical & Biomolecular EngineeringAtlanta, GA30332-0100USASearch for other works by this author on:Igor A. Baburin;Igor A. BaburinDresden University of Technology, Institute of Theoretical ChemistryBergstrasse 66bD-01192DresdenGermanySearch for other works by this author on:Daniele SelliDaniele SelliDresden University of Technology, Institute of Theoretical ChemistryBergstrasse 66bD-01192DresdenGermanyMax Planck Institute for Polymer ResearchAckermannweg 10D-55128MainzGermanySearch for other works by this author on:
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Computational studies of solid electrolyte interphase formationp57-87ByMartin KorthMartin KorthInstitute for Theoretical Chemistry, Ulm UniversityAlbert-Einstein-Allee 1189069UlmGermany[email protected]Search for other works by this author on:
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Theoretical studies of special relativity in atoms and moleculesp88-133ByTimo FleigTimo FleigDepartment of Physics, Laboratoire de Chimie et Physique Quantiques, I.R.S.A.M.C., Université Paul Sabatier ToulouseFrance[email protected]Search for other works by this author on:
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A personal perspective on density-functional theory: 50 years young and stronger than everp134-150ByMichael Springborg;Michael SpringborgSchool of Materials Science and Engineering, Tianjin UniversityTianjin300072Peoples Republic of ChinaSearch for other works by this author on:Jan-Ole JoswigJan-Ole JoswigSearch for other works by this author on:
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Density functional theory of chemical reactivityp151-174ByPatricio Fuentealba;Patricio FuentealbaFacultad de Ciencias, Universidad de ChileLas Palmeras 3425SantiagoChileSearch for other works by this author on:Carlos CárdenasCarlos CárdenasFacultad de Ciencias, Universidad de ChileLas Palmeras 3425SantiagoChileSearch for other works by this author on:
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Investigating dynamic interactions by multi-scale modelling: from theory to applicationsp175-200ByWelchy Leite Cavalcanti;Welchy Leite CavalcantiFraunhofer Institute for Manufacturing Technology and Advanced Materials IFAMWiener Straßig;e 12D-28359BremenGermany[email protected]Search for other works by this author on:Paul-Ludwig Michael NoeskePaul-Ludwig Michael NoeskeFraunhofer Institute for Manufacturing Technology and Advanced Materials IFAMWiener Straßig;e 12D-28359BremenGermany[email protected]Search for other works by this author on:
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