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E-grāmata: Models, Mysteries, and Magic of Molecules

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  • Formāts: PDF+DRM
  • Izdošanas datums: 03-Nov-2007
  • Izdevniecība: Springer-Verlag New York Inc.
  • Valoda: eng
  • ISBN-13: 9781402059414
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  • Formāts: PDF+DRM
  • Izdošanas datums: 03-Nov-2007
  • Izdevniecība: Springer-Verlag New York Inc.
  • Valoda: eng
  • ISBN-13: 9781402059414
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Molecules have for a long time been of central importance in chemistry as the basis on which all new products and materials have been designed, developed and interpreted. Since the discovery and characterization of active biomolecules, biology has also been transformed into a molecular science. With the new developments of molecular devices, single-molecule spectroscopy, time-resolved x-ray diffraction and the study of mass-selected clusters in molecular beams, materials science and electronics may move in the same direction.The understanding of molecules and the dynamics of their transition between isolated and assembled states rests on three pillars: structure, activity and function. Enormous progress has been made in the experimental study of molecules by diffraction and spectroscopic analysis, directed at all three of the basic aspects. In the process molecular scientists have developed efficient working models in terms of which to design and interpret their experiments. A vital feature of such models is an understanding of intra- and intermolecular cohesion and assembly, or chemical bonding. One challenging aspect is that the working models of chemistry are notoriously difficult to reduce to the fundamental theories of the physical sciences.The Indaba 5 meeting, held in South Africa during August 2006, was aimed at the progress that is being made to achieve first-principle understanding of molecular science: structure and dynamics (that includes bonding), activity and function. An interdisciplinary international team of experts came together to document and to probe various aspects of these fundamental questions and their startling conclusions confirm the need for a fresh look at the physical sciences with a view to better understand the mysteries and magic of molecules. This book explores the common ground to guide chemists, biologists, crystallographers, spectroscopists and theorists into a deeper recognition of their individual relevance towards painting a holistic picture of scientific endeavour. This effort to stimulate interest in multidisciplinary research is rare, if not unique.

The Indaba 5 meeting, held in South Africa during August 2006, examined the progress being made to achieve first-principle understanding of molecular science and confirmed the need to better understand the mysteries and magic of molecules. This book explores the common ground to guide chemists, biologists, crystallographers, spectroscopists and theorists towards painting a holistic picture of scientific endeavor.

Recenzijas

From the reviews:

A book that will probably appeal more to chemists is the result of an International Union of Crystallography Indaba workshop held in South Africa in August 2008. The book is nicely divided into four sections, Methods, Mysteries, Magic, and Models, each with five chapters. starts with a detailed, nicely illustrated, Raman spectroscopy study of life in extreme environments. (Gary L. Long and Fernande Grandjean, Belgian Physical Society Magazine, Issue 1, 2010)

Preface ix
List of Contributors
xiii
METHODS
Raman Spectroscopy: The Biomolecular Detection of Life in Extreme Environments
1(28)
Howell G.M. Edwards
Michael D. Hargreaves
X-ray Diffraction of Photolytically Induced Molecular Species in Single Crystals
29(34)
Jacqueline M. Cole
Molecular Conformation and Crystal Lattice Energy Factors in Conformational Polymorphs
63(24)
Ashwini Nangia
How Guests Settle and Plan their Escape Route in a Crystal: Structural Metrics of Solvation and Desolvation for Inorganic Diols
87(22)
Alessia Bacchi
Structural Determination of Unstable Species
109(28)
Yuji Ohashi
MYSTERIES
Is Polymorphism Caused by Molecular Conformational Changes?
137(30)
Ivan Bernal
Crystalline Amino Acids: A Link between Chemistry, Materials Science and Biology
167(26)
Elena Boldyreva
Unravelling the Chemical Basis of the Bathochromic Shift of the Lobster Carapace Carotenoprotein Crustacyanin
193(16)
John R. Helliwell
Madeleine Helliwell
Tiny Structural Features and their Giant Consequences for Properties of Solids
209(10)
Andrzej Katrusiak
Polymorphism in Long-chain N-Alkylammonium Halides
219(14)
Gert J. Kruger
Dave G. Billing
Melanie Rademeyer
MAGIC
Mysterious Crystallography: From Snow Flake to Virus
233(22)
Aloysio Janner
Clusters in F-Phase Icosahedral Quasicrystals
255(28)
Zorka Papadopolos
Oliver Groning
Roland Widmer
Protein-Protein Interactions in the Cyanobacterial KaiABC Circadian Clock
283(18)
Martin Egli
Rekha Pattanayek
Sabuj Pattanayek
Protein-Protein Docking Using Three-Dimensional Reduced Representations and Based on a Genetic Algorithm
301(24)
Andy Becue
Nathalie Meurice
Laurence Leherte
Daniel P. Vercauteren
Tropolone as Neutral Compound and Ligand in Palladium Complexes
325(16)
Gideon Steyl
Andreas Roodt
MODELS
Theoretical and Experimental Models of Molecules Illustrated with Quantum-Chemical Calculations of Electronic Structure of H2CN2 Isomers
341(24)
J.F. Ogilvie
Feng Wang
Recurrent Complex Modules instead of Molecules in Non-molecular Compounds: Describing and Modelling Modular Inorganic Structures
365(26)
Giovanni Ferraris
Marcella Cadoni
Models for Isomeric Bispidine Complexes -- Accurate Prediction versus Thorough Understanding
391(20)
Peter Comba
Marion Kerscher
The Ligand-Field Paradigm: Insight into Electronic Properties of Transition-metal Complexes Based on Calculations of Electronic Structure
411(36)
Mihail Atanasov
Peter Comba
Claude A. Daul
Frank Neese
The Holistic Molecule
447(30)
Jan C.A. Boeyens
Index 477(8)
Color Plates 485