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Kvantekemi og teoretisk kemi
Visning: Type : Alle | Sprog : Alle | Format : Alle
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On-Surface Synthesis II: Proceedings of the International Workshop On-Surface Synthesis, San Sebastian, 27-30 June 2016 (Bog, Hardback, Engelsk)Levering: Skaffevare (forvent 14 - 30 hverdage) -
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Molecular Response Functions for the Polarizable Continuum Model: Physical basis and quantum mechanical formalism (Bog, Paperback / softback, Engelsk)This Brief presents the main aspects of the response functions theory (RFT) for molecular solutes described within the framework of the Polarizable Continuum Model (PCM).
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Modification of Magnetic Properties of Iron Clusters by Doping and Adsorption: From a Few Atoms to Nanoclusters (Bog, Paperback / softback, Engelsk)This brief is based on computations performed on unary neutral and charged iron clusters, binary iron clusters, and iron clusters interacting with carbon and oxygen atoms as well as with a number of diatomics and water.
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Frontiers of Quantum Chemistry (Bog, Hardback, Engelsk)The purpose of this book is to convey to the worldwide scientific community the rapid and enthusiastic progress of state-of-the-art quantum chemistry.
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Computational Materials Science: From Ab Initio to Monte Carlo Methods (Bog, Hardback, Engelsk)This textbook introduces modern techniques based on computer simulation to study materials science. Readers will gain sufficient... Læs mere
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Advanced Quantum Mechanics (Bog, Hardback, Engelsk)Advanced Quantum Mechanics, the second volume on quantum mechanics by Franz Schwabl, discusses nonrelativistic multi-particle systems, relativistic wave equations and relativistic quantum fields.
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Computational Methods in Physics: Compendium for Students (Bog, Hardback, Engelsk)This text, the ideal student companion to the topic, explains all the core numerical techniques a physicist should know, as well as how to control errors, retain stability, and merge computations. It includes appendices full of additional detail and advice.
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Handbook of Materials Modeling: Methods: Theory and Modeling (Bog, Hardback, Engelsk)The Handbook of Materials Modeling, 2nd edition is a six-volume major reference serving a steadily growing community at the intersection of two mainstreams of global research: computational science and materials science and technology.
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Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile: In Honor of William A. Goddard’s Contributions to Science and Engineering (Bog, Hardback, Engelsk)This book provides a broad and nuanced overview of the achievements and legacy of Professor William (“Bill”) Goddard in the field of computational materials and molecular science.
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Simulating Enzyme Reactivity: Computational Methods in Enzyme Catalysis (Bog, Hardback, Engelsk)Exploring the theories, methodologies and applications in simulations of enzymatic reactions, this book is a great resource for postgraduate students and researchers.
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Theoretical Chemistry for Electronic Excited States (Bog, Hardback, Engelsk)This reference is ideal for both theorists and experimentalists working in theoretical chemistry, electronic structure and molecular dynamics
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Molecular Modelling and Bonding (Bog, Paperback / softback, Engelsk)This Case Study (including illustrations on CD-ROM) explores ways in which computer modelling, in conjunction with experimental techniques, is used to design new drugs.
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