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Author: Hugh M. Cartwright Publisher: Royal Society of Chemistry ISBN: 1788017897 Category : Science Languages : en Pages : 564
Book Description
Progress in the application of machine learning (ML) to the physical and life sciences has been rapid. A decade ago, the method was mainly of interest to those in computer science departments, but more recently ML tools have been developed that show significant potential across wide areas of science. There is a growing consensus that ML software, and related areas of artificial intelligence, may, in due course, become as fundamental to scientific research as computers themselves. Yet a perception remains that ML is obscure or esoteric, that only computer scientists can really understand it, and that few meaningful applications in scientific research exist. This book challenges that view. With contributions from leading research groups, it presents in-depth examples to illustrate how ML can be applied to real chemical problems. Through these examples, the reader can both gain a feel for what ML can and cannot (so far) achieve, and also identify characteristics that might make a problem in physical science amenable to a ML approach. This text is a valuable resource for scientists who are intrigued by the power of machine learning and want to learn more about how it can be applied in their own field.
Author: Hugh M. Cartwright Publisher: Royal Society of Chemistry ISBN: 1788017897 Category : Science Languages : en Pages : 564
Book Description
Progress in the application of machine learning (ML) to the physical and life sciences has been rapid. A decade ago, the method was mainly of interest to those in computer science departments, but more recently ML tools have been developed that show significant potential across wide areas of science. There is a growing consensus that ML software, and related areas of artificial intelligence, may, in due course, become as fundamental to scientific research as computers themselves. Yet a perception remains that ML is obscure or esoteric, that only computer scientists can really understand it, and that few meaningful applications in scientific research exist. This book challenges that view. With contributions from leading research groups, it presents in-depth examples to illustrate how ML can be applied to real chemical problems. Through these examples, the reader can both gain a feel for what ML can and cannot (so far) achieve, and also identify characteristics that might make a problem in physical science amenable to a ML approach. This text is a valuable resource for scientists who are intrigued by the power of machine learning and want to learn more about how it can be applied in their own field.
Author: Valérie Mireault Publisher: Nova Science Publishers ISBN: 9781536182262 Category : Languages : en Pages : 285
Book Description
In Solvent Effects in Chemistry: Advances in Applications and Research, a critical review of solvent influence on the performance of metal catalysts in the hydrogenation of carbonyl compounds, specifically unsaturated aldehydes, ketones and ketoesters, is provided.Additionally, the effects of solvent on the kinetics and mechanism of different reactions, stability, and sensitivity of the nanostructures are investigated.The uses of a large of variety of solvents varying from non-polar low basic solvents to polar strong basic solvents are discussed, showing that the properties of different solvents strongly influence the product composition of both studied reactions.The effects of solvent on the isomerization of monoterpenes epoxides as α- and β-pinene epoxide, limonene epoxide, verbenol epoxide, and nopol epoxide are explained from molecular and mechanistic points of view.The concluding study explores how heterolytic bond dissociation forms ionic species, while the corresponding homolytic bond dissociation results in the formation of neutral radical species.
Author: J.K. Gilbert Publisher: Springer Science & Business Media ISBN: 030647977X Category : Science Languages : en Pages : 433
Book Description
Chemical education is essential to everybody because it deals with ideas that play major roles in personal, social, and economic decisions. This book is based on three principles: that all aspects of chemical education should be associated with research; that the development of opportunities for chemical education should be both a continuous process and be linked to research; and that the professional development of all those associated with chemical education should make extensive and diverse use of that research. It is intended for: pre-service and practising chemistry teachers and lecturers; chemistry teacher educators; chemical education researchers; the designers and managers of formal chemical curricula; informal chemical educators; authors of textbooks and curriculum support materials; practising chemists and chemical technologists. It addresses: the relation between chemistry and chemical education; curricula for chemical education; teaching and learning about chemical compounds and chemical change; the development of teachers; the development of chemical education as a field of enquiry. This is mainly done in respect of the full range of formal education contexts (schools, universities, vocational colleges) but also in respect of informal education contexts (books, science centres and museums).
Author: Christian Reichardt Publisher: John Wiley & Sons ISBN: 3527605673 Category : Science Languages : de Pages : 653
Book Description
In most cases, every chemist must deal with solvent effects, whether voluntarily or otherwise. Since its publication, this has been the standard reference on all topics related to solvents and solvent effects in organic chemistry. Christian Reichardt provides reliable information on the subject, allowing chemists to understand and effectively use these phenomena. 3rd updated and enlarged edition of a classic 35% more contents excellent, proven concept includes current developments, such as ionic liquids indispensable in research and industry From the reviews of the second edition: "...This is an immensely useful book, and the source that I would turn to first when seeking virtually any information about solvent effects." —Organometallics
Author: Isaac Bersuker Publisher: Springer Science & Business Media ISBN: 1461326532 Category : Science Languages : en Pages : 328
Book Description
The first half of the title of this book may delude the uninitiated reader. The term '"Jahn-Teller effect," taken literally, refers to a special effect inherent in particular molecular systems. Actually, this term implies a new approach to the general problem of correlations between the structure and properties of any molecular polyatomic system, including solids. Just such a new approach, or concept (in some sense, a new outlook or even a new way of thinking), which leads not to one special effect but to a series of different effects and laws, is embodied in the many ( ~ 4000) studies devoted to the investigation and application of the Jahn-Teller effect. The term "vibronic interactions" seems to be most appropriate to the new concept, and this explains the origin of the second half of the title. The primary objective of this book is to present a systematic develop ment of the concept of vibronic interactions and its applications, and to illustrate its possibilities and significance in modern chemistry. In the first three chapters (covering about one-third of the book) the theoretical background of the vibronic concept and Jahn-Teller effect is given. The basic ideas are illustrated fully, although a comprehensive presentation of the theory with all related mathematical deductions is beyond the scope of this book. In the last three chapters the applications of theory to spectro scopy, stereochemistry and crystal chemistry, reactivity, and catalysis, are illustrated by a series of effects and laws.
Author: Hugh M. Cartwright
Author: Hugh M. Cartwright
Author: Robert Boyle
Author: Valérie Mireault
Author: J.K. Gilbert
Author: William Somerville Orr
Author: Christian Reichardt
Author: Eric Scerri
Author: Isaac Bersuker
Author: Sheridan Muspratt
Author: Benjamin Silliman