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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… Más…

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Fundamental Principles of Molecular Modeling - encuadernado, tapa blanda

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Anton Amann:
Fundamental Principles of Molecular Modeling - encuadernado, tapa blanda

ISBN: 9780306453052

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Detalles del libro
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.

Detalles del libro - Fundamental Principles Of Molecular Modeling


EAN (ISBN-13): 9780306453052
ISBN (ISBN-10): 0306453053
Tapa dura
Año de publicación: 1996
Editorial: Kluwer Academic/Plenum Publishers
264 Páginas
Peso: 0,696 kg
Idioma: eng/Englisch

Libro en la base de datos desde 2007-05-28T12:50:20-05:00 (Mexico City)
Página de detalles modificada por última vez el 2024-02-23T22:16:56-06:00 (Mexico City)
ISBN/EAN: 9780306453052

ISBN - escritura alterna:
0-306-45305-3, 978-0-306-45305-2
Mode alterno de escritura y términos de búsqueda relacionados:
Autor del libro: gans, jan werner, boeyens, anton amann, amann per
Título del libro: fundamental principles, south park


Datos del la editorial

Autor: Anton Amann; Jan C.A. Boeyens; W. Gans
Título: Fundamental Principles of Molecular Modeling
Editorial: Springer; Springer US
249 Páginas
Año de publicación: 1996-05-31
New York; NY
Idioma: Inglés
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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