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ENGLISH

Artificial Intelligence In Chemistry - Structure Elucidation And Simulation Of Organic Reactions

by Z. Hippe

58,29€ + 10% CARD

 This comprehensive overview of the application of artificial intelligence methods (AI) in chemistry contains an in-depth summary of the most interesting achievements of modern AI, namely, problem-solving in molecular structure elucidation and in syntheses design.The book provides a brief history of AI as a branch of computer science. It also gives an overview of the basic methods employed for searching the solution space (thoroughly exemplified by chemical problems), together with a profound and expert discussion on many questions that may be raised by modern chemists wishing to apply computer-assisted methods in their own research. Moreover, it includes a survey of the most important literature references, covering all essential research in automated interpretation of molecular spectra to elucidate a structure and in syntheses design. A glossary of basic terms from computer technology for chemists is appended. This book is intended to make the emerging field of artificial intelligence understandable and accessible for chemists, who are not trained in computer methods for solving chemical problems. The author discusses step-by-step basic algorithms for structure elucidation and many aspects of the automated design of organic syntheses in order to integrate this fascinating technology into current chemical knowledge.
ENGLISH

Structure And Dynamics Of Solutions

58,29€ + 10% CARD

 Recent advances in the study of structural and dynamic properties of solutions have provided a molecular picture of solute-solvent interactions. Although the study of thermodynamic as well as electronic properties of solutions have played a role in the development of research on the rate and mechanism of chemical reactions, such macroscopic and microscopic properties are insufficient for a deeper understanding of fast chemical and biological reactions. In order to fill the gap between the two extremes, it is necessary to know how molecules are arranged in solution and how they change their positions in both the short and long range. This book has been designed to meet these criteria.It is possible to develop a sound microscopic picture for reaction dynamics in solution without molecular-level knowledge of how reacting ionic or neutral species are solvated and how rapidly the molecular environment is changing with time. A variety of actual examples is given as to how and when modern molecular approaches can be used to solve specific solution problems. The following tools are discussed: x-ray and neutron diffraction, EXAFS, and XANES, molecular dynamics and Monte Carlo computer simulations, Raman, infrared, NMR, fluorescence, and photoelectron emission spectroscopic methods, conductance and viscosity measurements, high pressure techniques, and statistical mechanics methods. Static and dynamic properties of ionic solvation, molecular solvation, ion-pair formation, ligand exchange reactions, and typical organic solvents are useful for bridging the gap between classical thermodynamic studies and modern single-molecule studies in the gas phase.The book will be of interest to solution, physical, inorganic, analytical and structural chemists as well as to chemical kineticists.
ENGLISH

Structure, Fluctuation, And Relaxation In Solutions

304,75€ + 10% CARD

 The results of a special research project carried out for "Molecular Approaches to Non-equilibrium Process in Solution" were presented during The 42nd Yamada Conference on "Structure, Fluctuation and Relaxation in Solution" which was held from 11-15 December, 1994. The following topics were discussed at the conference:1. Solvation Dynamics 2. Relaxation, Fluctuation and Reaction Dynamics 3. Dynamic Structure and Reaction Mechanisms in Solutions. These topics were the main concern of this conference.
ENGLISH

Molecular Design - Chemical Structure Generation From The Properties Of Pure Organic Compounds

by A.L. Horvath

75,51€ + 10% CARD

 This book is a systematic presentation of the methods that have been developed for the interpretation of molecular modeling to the design of new chemicals. The main feature of the compilation is the co-ordination of the various scientific disciplines required for the generation of new compounds. The five chapters deal with such areas as structure and properties of organic compounds, relationships between structure and properties, and models for structure generation. The subject is covered in sufficient depth to provide readers with the necessary background to understand the modeling techniques. The book will be of value to chemists in industries involved in the manufacture of organic chemicals such as solvents refrigerants, blood substitutes, etc. It also serves as a reference work for researchers, academics, consultants, and students interested in molecular design.
ENGLISH

Thermal Decomposition Of Ionic Solids - Chemical Properties And Reactivities Of Ionic Crystalline Phases

by A.K. Galwey e M.E. Brown

371,00€ + 10% CARD

 Deals with solid-state decompositions and the properties of solids that control reactivities. This book also surveys groups of reactions classified by similarities of chemical composition.
ENGLISH

Radiation Chemistry - Present Status And Future Trends

by B.S.M. Rao e C.D. Jonah

523,38€ + 10% CARD

 During the twentieth century, radiation chemistry emerged as a multi-faceted field encompassing all areas of science. Radiation chemical techniques are being routinely used not only by chemists but also by biologists, and polymer scientists. This title presents an overall view of the different aspects of the subject.
ENGLISH

Vibrational Spectra: Principles And Applications With Emphasis On Optical Activity

by P.L. Polavarapu

291,50€ + 10% CARD

 This book originated out of a desire to combine topics on vibrational absorption, Raman scattering, vibrational circular dichroism (VCD) and Raman optical activity (VROA) into one source. The theoretical details of these processes are presented in ten different chapters. Using dispersive and Fourier transform techniques, the instrumentation involved in these spectral measurements are given in three chapters. Major emphasis is placed on the newer techniques, i.e. VCD and VROA, with the conventional vibrational absorption and vibrational Raman scattering methods incorporated as natural parts of the newer methods.Features of this book:* Comprehensive coverage of vibrational circular dichroism and vibrational Raman optical activity.* Coverage of theoretical and instrumental details.* A comprehensive survey of VCD and VROA applications is included, so that the reader can get an overview of theory, instrumentation and applications in one source.The topics covered are of an advanced level, which makes this book invaluable for graduate students and practising scientists in vibrational spectroscopy.
ENGLISH

Thermal Decomposition Of Ionic Solids - Chemical Properties And Reactivities Of Ionic Crystalline Phases

by A.K. (Retired From: Queen'S University Of Belfast, Belfast, Northern Ireland) Galwey e M.E. (Rhodes University, Grahamstown, South Africa) Brown

OUT OF STOCK OR NOT AVAILABLE

 Deals with solid-state decompositions and the properties of solids that control reactivities. This book also surveys groups of reactions classified by similarities of chemical composition.
ENGLISH

Vibrational Spectra: Principles And Applications With Emphasis On Optical Activity - Principles And Applications With Emphasis On Optical Activity

by P.L. (Vanderbilt University, Nashville, Tn, Usa) Polavarapu

OUT OF STOCK OR NOT AVAILABLE

 Presents the theoretical details of processes such as: vibrational absorption, Raman scattering, vibrational circular dichroism (VCD) and Raman optical activity (VROA). This work includes a comprehensive survey of VCD and VROA applications. It also covers vibrational circular dichroism and vibrational Raman optical activity.

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