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Fundamental Principles of Molecular Modeling - Anton Amann
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1996, ISBN: 0306453053

[EAN: 9780306453052], Neubuch, [SC: 0.0], [PU: Springer US], BONDING; CHEMICALSTRUCTURE; CHEMISTRY; CRYSTAL; CRYSTALLIZATION; CRYSTALLOGRAPHY; HYDROGEN; IRON; STRUCTURE; SYNTHESIS; THEORE… mais…

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ISBN: 9780306453052

Molecular similarity has always been an important conceptual tool of chemists, yet systematic approaches to molecular similarity problems have only recently been recognized as a major con… mais…

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Anton Amann:
Fundamental Principles of Molecular Modeling - encadernada, livro de bolso

ISBN: 9780306453052

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Anton Amann:
Fundamental Principles of Molecular Modeling - encadernada, livro de bolso

ISBN: 9780306453052

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Fundamental Principles Of Molecular Modeling

Molecular similarity has always been an important conceptual tool of chemists, yet systematic approaches to molecular similarity problems have only recently been recognized as a major contributor to our understanding of molecular properties. Advanced approaches to molecular similarity analysis have their foundation in quantum similarity measures, and are important direct or indirect contributors to some of the predictive theoretical, computational, and also experimental methods of modern chemistry. This volume provides a survey of the foundations and the contemporary mathematical and computational methodologies of molecular similarity approaches, where special emphasis is given to applications of similarity studies to a range of practical and industrially significant fields, such as pharmaceutical drug design. The authors of individual chapters are leading experts in various sub-fields of molecular similarity analysis and the related fundamental theoretical chemistry topics, as well as the relevant computational and experimental methodologies. Whereas in each chapter the emphasis is placed on a different area, nevertheless, the overall coverage and the wide scope of the book provides the reader with a general yet sufficiently detailed description that may serve as a good starting point for new studies and applications of molecular similarity approaches. The editors of this volume are grateful to the authors for their contributions, and hope that the readers will find this book a useful and motivating source of information in the rapidly growing field of molecular similarity analysis.

Dados detalhados do livro - Fundamental Principles Of Molecular Modeling


EAN (ISBN-13): 9780306453052
ISBN (ISBN-10): 0306453053
Livro de capa dura
Ano de publicação: 1996
Editor/Editora: Kluwer Academic/Plenum Publishers
264 Páginas
Peso: 0,696 kg
Língua: eng/Englisch

Livro na base de dados desde 2007-05-28T14:50:20-03:00 (Sao Paulo)
Página de detalhes modificada pela última vez em 2024-02-24T01:16:56-03:00 (Sao Paulo)
Número ISBN/EAN: 0306453053

Número ISBN - Ortografia alternativa:
0-306-45305-3, 978-0-306-45305-2
Ortografia alternativa e termos de pesquisa relacionados:
Autor do livro: gans, jan werner, boeyens, anton amann, amann per
Título do livro: fundamental principles, south park


Dados da editora

Autor: Anton Amann; Jan C.A. Boeyens; W. Gans
Título: Fundamental Principles of Molecular Modeling
Editora: Springer; Springer US
249 Páginas
Ano de publicação: 1996-05-31
New York; NY
Língua: Inglês
106,99 € (DE)
109,99 € (AT)
118,00 CHF (CH)
Available
IX, 249 p.

BB; Hardcover, Softcover / Chemie/Anorganische Chemie; Anorganische Chemie; Verstehen; bonding; chemical structure; chemistry; crystal; crystallization; crystallography; hydrogen; iron; metals; structure; synthesis; theoretical chemistry; transition metal; Inorganic Chemistry; Organic Chemistry; Physical Chemistry; Condensed Matter Physics; Spectroscopy; Organische Chemie; Physikalische Chemie; Physik der kondensierten Materie (Flüssigkeits- und Festkörperphysik); Spektroskopie, Spektrochemie, Massenspektrometrie; BC

Fundamentals of Molecular Modelling.- Molecular Shape.- New Tests of Models in Chemical Binding — Extra-Mechanical Effects and Molecular Properties.- Can Quantum Mechanics Account for Chemical Structures?.- Environmental Factors in Molecular Modelling.- Knowledge Acquisition from Crystallographic Databases: Applications in Molecular Modelling, Crystal Engineering and Structural Chemistry.- Hydrogen Bonding Models: Their Relevance to Molecular Modeling.- Molecular Electrostatic Properties from X-Ray Diffraction Data.- Modeling of Structural and Spectroscopic Properties of Transition Metal Compounds.- Conformational Analysis of Long Chain Seco-Acids Used in Woodward’s Total Synthesis of Erythromycin A — Conformational Space Search as the Basis of Molecular Modeling.- Packing Molecules and Ions into Crystals.- On the Isostructurality of Supramolecules: Packing Similarities Governed by Molecular Complementarity.- The Phenomenon of Conglomerate Crystallization. Part 44. Counterion Control of Crystallization Pathway Selection.- Contributors.

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