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Author: Angelo Gavezzotti
Publisher: Elsevier
ISBN: 0128237481
Category : Science
Languages : en
Pages : 304
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Book Description
The Crystalline States of Organic Compounds is a broad survey of the techniques by which molecular crystals are investigated, modeled, and applied, starting with the fundamentals of intra- and intermolecular bonding supplemented by a concise tutorial on present-day diffraction methods, then proceeding to an examination of crystallographic databases with their statistics and of such fundamental and fast-growing topics as intermolecular potentials, polymorphism, co-crystallization, and crystal structure prediction by computer. A substantial part of the book is devoted to the techniques of choice in modern simulation, Monte Carlo and molecular dynamics, with their most recent developments and application to formed crystals and to the concomitant phases involved in nucleation and growth. 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
Author: Angelo Gavezzotti
Publisher: Elsevier
ISBN: 0128237481
Category : Science
Languages : en
Pages : 304
Get Book Here
Book Description
The Crystalline States of Organic Compounds is a broad survey of the techniques by which molecular crystals are investigated, modeled, and applied, starting with the fundamentals of intra- and intermolecular bonding supplemented by a concise tutorial on present-day diffraction methods, then proceeding to an examination of crystallographic databases with their statistics and of such fundamental and fast-growing topics as intermolecular potentials, polymorphism, co-crystallization, and crystal structure prediction by computer. A substantial part of the book is devoted to the techniques of choice in modern simulation, Monte Carlo and molecular dynamics, with their most recent developments and application to formed crystals and to the concomitant phases involved in nucleation and growth. 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
Author: Hsien-Hsin Tung
Publisher: John Wiley & Sons
ISBN: 0470447788
Category : Science
Languages : en
Pages : 304
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Book Description
Filled with industrial examples emphasizing the practical applications of crystallization methodologies Based on the authors' hands-on experiences as process engineers at Merck, Crystallization of Organic Compounds guides readers through the practical aspects of crystallization. It uses plenty of case studies and examples of crystallization processes, ranging from development through manufacturing scale-up. The book not only emphasizes strategies that have been proven successful, it also helps readers avoid common pitfalls that can render standard procedures unsuccessful. The goal of this text is twofold: Build a deeper understanding of the fundamental properties of crystallization as well as the impact of these properties on crystallization process development. Improve readers' problem-solving abilities by using actual industrial examples with real process constraints. Crystallization of Organic Compounds begins with detailed discussions of fundamental thermodynamic properties, nucleation and crystal growth kinetics, process dynamics, and scale-up considerations. Next, it investigates modes of operation, including cooling, evaporation, anti-solvent, and reactive crystallization. The authors conclude with special applications such as ultrasound in crystallization and computational fluid dynamics in crystallization. Most chapters feature multiple examples that guide readers step by step through the crystallization of active pharmaceutical ingredients (APIs). With its focus on industrial applications, this book is recommended for chemical engineers and chemists who are involved with the development, scale-up, or operation of crystallization processes in the pharmaceutical and fine chemical industries.
Author: Edwin Weber
Publisher: Springer
ISBN: 3540691782
Category : Science
Languages : en
Pages : 230
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Book Description
Considering the high level of our knowledge concerning covalent bond formation in the organic chemistry of molecules, our understanding of the principles involved in organic solid design is almost in its infancy. While chemists today are able to synthesize organic molecules of very high complexity using sophisticated methods of preparation, they lack general approaches enabling them to reliably predict organic crystalline or solid structures from molecular descriptors - no matter how simple they are. On the other hand, nearly all the organic matter surrounding us is not in the single-molecule state but aggregated and condensed to form liquid or solid molecular assemblages and structural arrays giving rise to the appearances and properties of organic compounds we usually observe. Obviously, the electrical, optical or magnetic properties of solid organic materials that are important requirements for future technologies and high-tech applications, as well as the stability and solubility behavior of a medicament depend on the structure of the molecule and the intramolecular forces, but even more decisively on the intermolecular forces, i. e. the packing structure of the molecules to which a general approach is lacking. This situation concerned ]. Maddox some years ago to such a degree that he described it as "one of the continuing scandals in the physical sciences" [see (1998) Nature 335:201; see also Ball, P. (1996) Nature 381:648]. The problem of predicting organic solid and crystal structures is very dif- cult.
Author: Hsien-Hsin Tung
Publisher: John Wiley & Sons
ISBN: 1119879469
Category : Science
Languages : en
Pages : 388
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Book Description
Practical resource covering applications of crystallization principles with methodologies, case studies, and numerous industrial examples for emphasis Based on the authors' hands-on experiences as process engineers, through the use of case studies and examples of crystallization processes, ranging from laboratory development through manufacturing scale-up, Crystallization of Organic Compounds guides readers through the practical applications of crystallization and emphasizes strategies that have proven to be successful, enabling readers to avoid common pitfalls that can render standard procedures unsuccessful. Most chapters feature multiple examples that guide readers, step by step, through the crystallization of active pharmaceutical ingredients (APIs), including an analysis of the major methods of carrying out crystallization operations, their strengths and potential issues, as well as numerous examples of crystallization processes from development through manufacturing scale. Advancements in the field of crystallization have been integrated throughout the book in the newly revised Second Edition to ensure the content adequately reflects current state-of-the-art industrial know-hows and practice. The new edition also adds chapters addressing downstream operations after the crystallization, including filtration/washing and drying, together with industrial use cases. Crystallization of Organic Compounds includes detailed information on: Solubility and solid behavior, covering phase rule, polymorph, salt/coccrystals, chiral resolution and in-silico solubility prediction; and kinetics, covering seed, supersaturation, nucleation, crystal growth and model-based experimental design Critical issues in the crystallization practice, covering oiling out, seeding/wet-milling, agglomeration/aggregation, mixing scale-up and quality-by-design principles. Cooling, anti-solvent, evaporation and reactive crystallization process design, covering batch and continuous operations with industrial examples. Special applications, covering crystallization with ultrasound and computation fluid dynamics, and solid dispersion. With highly practical coverage of the subject, Crystallization of Organic Compounds is an essential resource for engineers and chemists involved with the development, scaling, or operation of crystallization process in the pharmaceutical and fine chemical industries, particularly those with degrees in chemical engineering and chemistry.
Author: Masako Kato
Publisher: Springer Nature
ISBN: 9819902606
Category : Science
Languages : en
Pages : 265
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Book Description
This open access book introduces the science of the new materials, soft crystals, by showing various interesting examples. Different from conventional hard and stable crystals, the soft crystals respond to gentle stimuli such as vapor exposure and rubbing but maintain their structural order. In this book, their exhibition of remarkable visual changes in their shape, color, and luminescence is described. Through the chapters, historical background, recent remarkable developments, and future prospects are described concisely. This book helps readers to understand a new concept of materials that have the characteristics of stimulus-sensitive soft matter and finely controlled crystals and to design novel materials with the characteristics. The English translation of this book from its Japanese language original manuscript was done with the help of artificial intelligence (machine translation by the service DeepL.com). The text has subsequently been revised further by a professional copy editor in order to refine the work stylistically.
Author: Joseph Désiré Hubert Donnay
Publisher:
ISBN:
Category : Crystallography
Languages : en
Pages : 890
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Book Description
Author: N.I. Ostapenko
Publisher: Springer Science & Business Media
ISBN: 940111675X
Category : Science
Languages : en
Pages : 266
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Book Description
Spectroscopy of Defects in Organic Crystals presents a masterly summary of the widespread and voluminous literature on the subject, presenting theoretical and experimental investigations of electron and vibronic optical spectra of organic crystals. Electronic states of defects combine to form crystal near-to-band and band levels. These are discrete states in the vicinity of exciton bands, surface and dislocational excitons, etc. Some studies have expressed dissimilar or even conflicting opinions about the nature of observed phenomena. In the choice of the material, preference has been given to phenomena which have received a theoretical interpretation. Some attention is paid to observations which are not completely understood and also to effects predicted but not yet confirmed. The monograph will be useful for scientists as well as undergraduate and postgraduate students of solid state physics.
Author: Zory Vlad Todres
Publisher: Springer Science & Business Media
ISBN: 3319001582
Category : Science
Languages : en
Pages : 196
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Book Description
Zory Vlad Todres' monograph offers a fresh insight into an important and developed area of organic chemistry. Calixarene, cyclodextrins, and cucurbiturils as host molecules are well known, but the corresponding new and demonstrative publications deserve new exposition. This book principally widens our consideration of organic reactivity in confining media. Topics discussed include: effects of micellization, porous effects, effects of solvent cages, complexation to organometallic compounds, hydrogen-bond or charge-transfer complexation, sorption effects, effects of solvents, and stereochemical changes upon confinement. Organic Chemistry in Confining Media is useful for experienced organic chemists working in academia or industry, as well as chemists working in fields contiguous to organic chemistry.
Author: Alexei K. Baev
Publisher: Springer Science & Business Media
ISBN: 3642216226
Category : Science
Languages : en
Pages : 451
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Book Description
Prof. Baev presents in his book the development of the thermodynamic theory of specific intermolecular interactions for a wide spectrum of organic compounds: ethers, ketones, alcohols, carboxylic acids, and hydrocarbons. The fundamentals of an unconventional approach to the theory of H-bonding and specific interactions are formulated based on a concept of pentacoordinate carbon atoms. New types of hydrogen bonds and specific interactions are substantiated and on the basis of the developed methodology their energies are determined. The system of interconnected quantitative characteristics of the stability of specific intermolecular interactions is presented. The laws of their transformations are discussed and summarized. The new concept of the extra stabilizing effect of isomeric methyl groups on the structure and stability of organic molecules is introduced and the destabilization action on specific interactions is outlined.
Author: Joseph Désiré Hubert Donnay
Publisher:
ISBN:
Category : Crystallography
Languages : en
Pages : 1062
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Book Description
