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Similarities in chemical reactivity depend on molecular properties, and are ultimately dependent on the similarities of electronic structures. Fundamentally, quantum chemical similariti… Plus…
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2010, ISBN: 9789048145096
Springer, Taschenbuch, Auflage: Softcover reprint of hardcover 1st ed. 1995, 332 Seiten, Publiziert: 2010-12-08T00:00:01Z, Produktgruppe: Buch, 1.03 kg, Chemie, Naturwissenschaften & Tech… Plus…
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2010, ISBN: 9789048145096
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2010, ISBN: 9048145090
[EAN: 9789048145096], Neubuch, [PU: Springer Netherlands Dez 2010], This item is printed on demand - it takes 3-4 days longer - Neuware -In the study of various phenomena in nature, the c… Plus…
ISBN: 9789048145096
Similarities in chemical reactivity depend on molecular properties, and are ultimately dependent on the similarities of electronic structures. Fundamentally, quantum chemical similariti… Plus…
2010
ISBN: 9789048145096
Springer, Taschenbuch, Auflage: Softcover reprint of hardcover 1st ed. 1995, 332 Seiten, Publiziert: 2010-12-08T00:00:01Z, Produktgruppe: Buch, 1.03 kg, Chemie, Naturwissenschaften & Tech… Plus…
2010, ISBN: 9789048145096
Livres de poche
[ED: Kartoniert / Broschiert], [PU: Springer Netherlands], Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. In the study of various phenome… Plus…
ISBN: 9789048145096
*Molecular Similarity and Reactivity* - From Quantum Chemical to Phenomenological Approaches. Softcover reprint of hardcover 1st ed. 1995 / Taschenbuch für 160.49 € / Aus dem Bereich: Büc… Plus…
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Informations détaillées sur le livre - Molecular Similarity and Reactivity
EAN (ISBN-13): 9789048145096
ISBN (ISBN-10): 9048145090
Livre de poche
Date de parution: 2010
Editeur: Springer Netherlands
332 Pages
Poids: 0,503 kg
Langue: eng/Englisch
Livre dans la base de données depuis 2011-07-05T19:25:25+02:00 (Zurich)
Page de détail modifiée en dernier sur 2023-08-02T18:15:34+02:00 (Zurich)
ISBN/EAN: 9789048145096
ISBN - Autres types d'écriture:
90-481-4509-0, 978-90-481-4509-6
Autres types d'écriture et termes associés:
Titre du livre: similarity
Données de l'éditeur
Auteur: Ramon Carbó-Dorca
Titre: Understanding Chemical Reactivity; Molecular Similarity and Reactivity - From Quantum Chemical to Phenomenological Approaches
Editeur: Springer; Springer Netherland
324 Pages
Date de parution: 2010-12-08
Dordrecht; NL
Imprimé / Fabriqué en
Langue: Anglais
160,49 € (DE)
164,99 € (AT)
177,00 CHF (CH)
POD
VIII, 324 p.
BC; Hardcover, Softcover / Chemie/Physikalische Chemie; Physikalische Chemie; Verstehen; Physical Chemistry; Computational Chemistry; Chemoinformatik; BB
Section A: Quantum Chemical Foundation.- Theoretical Foundation of Quantum Molecular Similarity.- Molecular Similarity and Momentum Space.- Molecular Similarity Measures for Assessing Reactivity.- Electron Density Approximations for the Rapid Evaluation of Quantum Molecular Similarity Measures.- Section B: Computational Methods.- General Suggestions and Applications of Quantum Molecular Similarity Measures from ab initio Fitted Electron Densities.- Quantitative Measurement of Molecular Similarity Using Shape Descriptors.- PROTEP: A Program for Graph-Theoretical Similarity Searching of the 3-D Structures in the Protein Data Bank.- 3D Molecular Similarity Modelling in Computational Drug Design.- Application of Adaptive Mixture of Local Neural Networks in Chemistry. Prediction and Classification of Resonance and Inductive Effects of Substituents.- Section C: Phenomenological Approaches.- A Proven Performer in the Similarity Stakes.- Graph Theoretical Approach to Structural Changes in Chemistry.- Detection of the Largest Patterns Common to a Set of Molecules, Using 2D Graphs and 3D Skeletons.- A Proposal Toward the Identification of Substructure Electronic Similarity.- Study of the Root Mean Square Deviations of Bond Lengths, Bond Angles and Torsional Angles as a Measure of Molecular Similarities.- Molecular Similarity and LFER.- Evaluation of Molecular Similarity Using Topological Fragment Spectra.Autres livres qui pourraient ressembler au livre recherché:
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9780792333098 Molecular Similarity and Reactivity: From Quantum Chemical to Phenomenological Approaches (Understanding Chemical Reactivity, 14, Band 14) (Ramon Carbo-Dorca (Editor))
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