Quantum chemistry requires ever higher computational performance, with more and more sophisticated and dedicated Python scripts being required to solve challenging problems. Although resources for basic use of Python are widely (and often freely)...Lasīt vairāk
(Izdošanas datums: 17-Apr-2025, Hardback, Izdevniecība: John Wiley & Sons Inc, ISBN-13: 9781119472599)
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A comprehensive review of molecular symmetry topics, presenting their practical applications in the context of computational quantum chemistry This book explores the various symmetries that appear in calculations of molecular electronic...Lasīt vairāk
Computational Quantum Chemistry is an extremely useful tool for teaching and research alike. The book supplies an overview of the field and explains the fundamental underlying principles. It also gives the knowledge of numerous comparisons of diff...Lasīt vairāk
This is the fourth edition of the successful textbook on computational chemistry which continues to provide a comprehensive introduction to the theory and practice of computational chemistry. Notable updates include a review of references up to...Lasīt vairāk
Computational Quantum Chemistry: Theory and Programming is a practical guide aimed at helping readers make the transition from being users of computational chemistry to developers of computational chemistry methods. After introducing quantum c...Lasīt vairāk
Quantum chemistry is simulating atomistic systems according to the laws of quantum mechanics, and such simulations are essential for our understanding of the world and for technological progress. Machine learning revolutionizes quantum chemistry b...Lasīt vairāk
This book systematically discusses the computional methods of organometallic catalysis. It not only provides a theoretical overview of organometallic catalysis, but also describes the computional studies for the mechanism of transition-metal-assisted...Lasīt vairāk
Computational Quantum Chemistry is an extremely useful tool for teaching and research alike. It stipulates information in an accessible manner for scientific investigators, researchers and entrepreneurs. The book supplies an overview of the field an...Lasīt vairāk
An In-Depth View of Hardware Issues, Programming Practices, and Implementation of Key Methods Exploring the challenges of parallel programming from the perspective of quantum chemists, Parallel Computing in Quantum Chemistry thoroughly co...Lasīt vairāk
Computational Quantum Chemistry: Insights into Polymerization Reactions consolidates extensive research results, couples them with computational quantum chemistry (CQC) methods applicable to polymerization reactions, and presents those resu...Lasīt vairāk
This book explains how the partial differential equations (pdes) in electroanalytical chemistry can be solved numerically. It guides the reader through the topic in a very didactic way, by first introducing and discussing the basic equations along wi...Lasīt vairāk
This multi-author contributed volume includes methodological advances and original applications to actual chemical or biochemical phenomena which were not possible before the increased sophistication of modern computers. The chapters contain detai...Lasīt vairāk
Sērija : Theoretical and Computational Chemistry Series
(Izdošanas datums: 03-Jun-2013, Hardback, Izdevniecība: Royal Society of Chemistry, ISBN-13: 9781849736084)
Metabolomics is an emerging field and this is the first book to present chromatographic techniques in metabolomics in a fundamental way. Sample preparation and quality control are crucial aspects which are described in detail. Uniquely, guidelin...Lasīt vairāk
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The second edition of this popular textbook has been revised to improve explanations and to add topics which were not featured in the first edition. It also contains extended, updated examples and references. The questions (the hallmark of a genuine...Lasīt vairāk
