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Kvantekemi og teoretisk kemi
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Molecular Orbitals and Organic Chemical Reactions (Bog, Hardback, Engelsk)Winner of the PROSE Award for Chemistry & Physics 2010 Acknowledging the very best in professional and scholarlypublishing, the annual PROSE Awards... Læs mere
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Methods of Molecular Quantum Mechanics: An Introduction to Electronic Molecular Structure (Bog, Paperback / softback, Engelsk)This provides an advanced text introducing graduate students to the mathematical foundations of methods needed to do working applications in molecular quantum mechanics.
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Methods of Electronic-Structure Calculations: From Molecules to Solids (Bog, Hardback, Engelsk)The electronic-structural calculations of the properties of specific materials have become increasingly important since the 1970s. This book focuses equally on the different computational methods in relation to traditional quantum chemistry and solid-state physics.
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Introduction to Molecular Dynamics and Chemical Kinetics & Advanced Molecular Dynamics and Chemical Kinetics, 2 Volume Set (Bog, Hardback, Engelsk)Volume 1 of this two-volume set covers both molecular reaction dynamics, and chemical kinetics and their respective theories. Volume 2 concerns molecular reaction dynamics.
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Introduction to Coordination Chemistry (Bog, Hardback, Engelsk)Introduction to Coordination Chemistry examines and explains how metals and molecules that bind as ligands interact, and the consequences of this assembly... Læs mere
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Handbook of Free Radical Initiators (Bog, Hardback, Engelsk)Free radical initiators-chemical molecules which easily decompose into free radicals-serve as reactive intermediates in synthetic methodologies such as organic and polymer synthesis as well as in technological processes, oligomerization, network formation, and kinetic research.
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Fragmentation: Toward Accurate Calculations on Complex Molecular Systems (Bog, Hardback, Engelsk)Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation... Læs mere
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Electron Transfer in Chemistry and Biology: An Introduction to the Theory (Bog, Hardback, Engelsk)This book provides a brief introduction to the basic concepts of electron transfer and its historical development, followed by a discussion of specific charge transfer effects.
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Dihydrogen Bond: Principles, Experiments, and Applications (Bog, Hardback, Engelsk)This definitive reference consolidates current knowledge on dihydrogen bonding, emphasizing its role in organizing interactions in different... Læs mere
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Discovering Chemistry With Natural Bond Orbitals (Bog, Paperback / softback, Engelsk)This book explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies which are relevant in reactivity problems. It... Læs mere
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Copper-Catalyzed Amination of Aryl and Alkenyl Electrophiles (Bog, Paperback / softback, Engelsk)Optimal experimental conditions for the amination of aryl and alkenyl halides with all classes of nitrogen nucleophiles are presented in this... Læs mere
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A Chemist's Guide to Density Functional Theory (Bog, Paperback / softback, Engelsk)Many use Density Functional Theory (DFT) programs as black-box tools without having a quantum theoretical background or a concise knowledge about the strength and weaknesses of this approach. This text is designed to bridge the gap and to guide the non-expert user.
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