The Crystalline States of Organic Compounds: Theoretical and Computational Chemistry, cartea 20
Autor Angelo Gavezzottien Limba Engleză Paperback – 25 noi 2021
Drawing on the decades-long experience of its author in teaching and research in the field of organic solid state, The Crystalline States of Organic Compounds is an indispensable source of key insights and future directions for students and researchers at any level, in academia and in industry.
- Condenses theoretical information and practical methods in a single resource
- Provides a guide on the use of crystallographic databases, structure statistics, and molecular simulations
- Includes a large number of worked examples and tutorials, with extensive graphics and multimedia
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Specificații
ISBN-13: 9780128237472
ISBN-10: 0128237473
Pagini: 302
Ilustrații: 200 illustrations (40 in full color)
Dimensiuni: 191 x 235 x 19 mm
Greutate: 0.52 kg
Editura: ELSEVIER SCIENCE
Seria Theoretical and Computational Chemistry
ISBN-10: 0128237473
Pagini: 302
Ilustrații: 200 illustrations (40 in full color)
Dimensiuni: 191 x 235 x 19 mm
Greutate: 0.52 kg
Editura: ELSEVIER SCIENCE
Seria Theoretical and Computational Chemistry
Cuprins
1. Electron densities and chemical bonding: Old and new ideas
2. The intermolecular chemical bond: Physical facts and geometric fiction
3. X-ray analysis of crystals and the Cambridge structural database: Use and better uses
4. The organic crystal potential: History, development, and today’s cost/performance ratios
5. Crystal structure prediction from molecular structure: Highlights and shadows
6. Crystal polymorphism: Conventional and real wisdom
7. Multi-molecular asymmetric units and cocrystals: Symmetry violation
8. Organic crystal nucleation and growth: Little knowledge, much mystery
9. The dynamic simulation of aggregate chemical systems: Use and misuse of long lists of numbers
2. The intermolecular chemical bond: Physical facts and geometric fiction
3. X-ray analysis of crystals and the Cambridge structural database: Use and better uses
4. The organic crystal potential: History, development, and today’s cost/performance ratios
5. Crystal structure prediction from molecular structure: Highlights and shadows
6. Crystal polymorphism: Conventional and real wisdom
7. Multi-molecular asymmetric units and cocrystals: Symmetry violation
8. Organic crystal nucleation and growth: Little knowledge, much mystery
9. The dynamic simulation of aggregate chemical systems: Use and misuse of long lists of numbers
Recenzii
"This book provides a bridge between crystallography and computational chemistry with considerable insight and humour… This book is a complement to rigorous text books on crystallography, quantum mechanics, thermodynamics and molecular simulation, aimed at helping those studying the condensed phases of organic molecules to appreciate the interdisciplinary nature of the field. I recommended purchase for my institutional library, for its value to PhD and early career researchers as an aid to understanding the literature. Late-career scientists who have been through the development of ideas in the organic solid-state community may enjoy seeing how Gavezzotti’s provoking views have developed." --Sarah L. Price, Crystallography News