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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… Mehr…

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Details zum Buch
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.

Detailangaben zum Buch - Fundamental Principles Of Molecular Modeling


EAN (ISBN-13): 9780306453052
ISBN (ISBN-10): 0306453053
Gebundene Ausgabe
Erscheinungsjahr: 1996
Herausgeber: Kluwer Academic/Plenum Publishers
264 Seiten
Gewicht: 0,696 kg
Sprache: eng/Englisch

Buch in der Datenbank seit 2007-05-28T19:50:20+02:00 (Vienna)
Detailseite zuletzt geändert am 2024-02-24T05:16:56+01:00 (Vienna)
ISBN/EAN: 9780306453052

ISBN - alternative Schreibweisen:
0-306-45305-3, 978-0-306-45305-2
Alternative Schreibweisen und verwandte Suchbegriffe:
Autor des Buches: gans, jan werner, boeyens, anton amann, amann per
Titel des Buches: fundamental principles, south park


Daten vom Verlag:

Autor/in: Anton Amann; Jan C.A. Boeyens; W. Gans
Titel: Fundamental Principles of Molecular Modeling
Verlag: Springer; Springer US
249 Seiten
Erscheinungsjahr: 1996-05-31
New York; NY
Sprache: Englisch
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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