Автор: Lewars Название: Computational Chemistry ISBN: 9048138604 ISBN-13(EAN): 9789048138609 Издательство: Springer Цена: 24483 р. Наличие на складе: Поставка под заказ. Описание: This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of computaional chemistry. Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. The following concepts are illustrated and their possibilities and limitations are given: - potential energy surfaces; - simple and extended Hueckel methods; - ab initio, AM1 and related semiempirical methods; - density functional theory (DFT). Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.
Название: Organic Chemistry, 2 ed. ISBN 9780199270293 ISBN: 0199270295 ISBN-13(EAN): 9780199270293 Издательство: Oxford Academ Рейтинг: Цена: 11839 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Inspiring and motivating students from the moment it published, Organic Chemistry has established itself in just one edition as the students` choice of organic chemistry text. Its explanatory, mechanistic, evidence-based approach makes it perfect for fostering a true understanding of the subject.
Описание: The two-part, fifth edition of Advanced Organic Chemistry has been substantially revised and reorganized for greater clarity. together, with Part A: Structure and Mechanisms, the two volumes provide a comprehensive foundation for the study in organic chemistry.
Описание: Why settle for less when you can have the whole of Analytical Chemistry in a single book? The successful all-in-one guide to modern Analytical Chemistry is now available in a new and updated edition. From the foundations of analytical science to state-of-the art techniques and instrumentation -- all you will ever need to know is explained here. The text covers both general analytical chemistry and instrumental analysis and may be used for most analytical chemistry courses offered today. Carefully chosen worked examples show how analytical problems can effectively be solved and how calculations should be performed. Study questions and recommended reading for further study are provided for each learning unit. The second edition has been carefully revised to keep up-to-date with advances in the technology of analytical methods in the laboratory and in the workplace, including newly written chapters on multidimensional chromatography, sensors and screening systems. With its broad scope, the text doubles as a reliable reference for virtually all analytical problems encountered during the course of study and beyond. "Analytical Chemistry will serve as an excellent text as well as a valued reference following completion of the student's course of study." Journal of Medicinal Chemistry "It is a book that should be on the shelves of all analytical chemistry and biochemistry professionals, including those who work in the areas of clinical chemistry, food chemistry and forensic chemistry." Bulletin of the World Health Organisation "The book is a must-have reference for anyone trying to understand what techniques and technologies are available for the analytical chemist today." Chemtech
Автор: Zaheer Ul-Haq Название: Frontiers in Computational Chemistry vol 1 ISBN: 1608058654 ISBN-13(EAN): 9781608058655 Издательство: Elsevier Science Рейтинг: Цена: 20801 р. Наличие на складе: Нет в наличии.
Описание: Frontiers in Computational Chemistry, originally published by Bentham and now distributed by Elsevier, presents the latest research findings and methods in the diverse field of computational chemistry, focusing on molecular modeling techniques used in drug discovery and the drug development process. This includes computer-aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. In Volume 1, the leading researchers in the field have collected eight different perspectives in the application of computational methods towards drug design to provide an up-to-date rendering of the current field. This volume covers a variety of topics from G protein-coupled receptors, to the use of cheminformatics and bioinformatics, computational tools such as Molecular Mechanics Poisson-Boltzmann Surface Area, protein-protein interactions, the use of computational methods on large biological data sets, various computational methods used to identify pharmaceutically relevant targets, and more.
Автор: Zaheer Ul-Haq Название: Frontiers in Computational Chemistry ISBN: 1608059790 ISBN-13(EAN): 9781608059799 Издательство: Elsevier Science Рейтинг: Цена: 20801 р. Наличие на складе: Нет в наличии.
Описание:
"Frontiers in Computational Chemistry," originally published by Bentham and now distributed by Elsevier, presents the latest research findings and methods in the diverse field of computational chemistry, focusing on molecular modeling techniques used in drug discovery and the drug development process. This includes computer-aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. In Volume 2, the authors continue the compendium with nine additional perspectives in the application of computational methods towards drug design. This volume covers an array of subjects from modern hardware advances that accelerate new antibacterial peptide identification, electronic structure methods that explain how singlet oxygen damages DNA, to QSAR model validation, the application of DFT and DFRT methods on understanding the action of nitrogen mustards, the design of novel prodrugs using molecular mechanics and molecular orbital methods, computational simulations of lipid bilayers, high throughput screening methods, and more. Brings together a wide range of research into a single collection to help researchers keep up with new methodsUniquely focuses on computational chemistry approaches that can accelerate drug designMakes a solid connection between experiment and computation, and the novel application of computational methods in the fields of biology, chemistry, biochemistry, physics, and biophysics
Описание: Produced in partnership with OCR, University of York Science Education Group and Nuffield Foundation, these second editions of the Twenty First Century Science resources provide the best support for the new specifications and make the transition as smooth as possible. This workbook is deal for use in lessons and for independent study.
Описание: Produced in partnership with OCR, University of York Science Education Group and Nuffield Foundation, these second editions of the Twenty First Century Science resources provide the best support for the new specifications and make the transition as smooth as possible. The Student Book helps you create lively and relevant science lessons.
Автор: Manahan, Stanley E. Название: Environmental Chemistry ISBN: 1420059203 ISBN-13(EAN): 9781420059205 Издательство: Taylor&Francis Рейтинг: Цена: 6578 р. Наличие на складе: Нет в наличии.
Описание: Completely revised, this ninth edition of a perennial bestseller retains the organizational structure that has made past editions so popular while updating
coverage of principles, tools, and techniques to provide fundamental understanding of environmental chemistry and its applications. With clear explanations, real-world examples, and
updated questions and answers, the book emphases the concepts essential to the practice of environmental science, technology, and chemistry while introducing the newest
innovation to the field. It includes a lecture's pack on CD-ROM containing the solutions manual and PowerPoint presentations for each chapter, including the chapter figures in an
electronic format.
Автор: Clugston, Michael Flemming, Rosalind Название: Advanced Chemistry 2/e ISBN: 0198392915 ISBN-13(EAN): 9780198392910 Издательство: Oxford Education Рейтинг: Цена: 13726 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Written by experienced teachers who bring a refreshing approach to traditional A-Level material. Advanced Chemistry will inspire and support chemistry students. Questions give opportunities to practise recall and analytical skills, and `Maths boxes` give mathematical support. Key terms are highlighted and there are full colour illustrations.
Автор: Jensen, Frank Название: Introduction to computational chemistry ISBN: 0470011874 ISBN-13(EAN): 9780470011874 Издательство: Wiley Рейтинг: Цена: 7472 р. Наличие на складе: Поставка под заказ.
Описание: Introduction to Computational Chemistry Second Edition provides a comprehensive account of the fundamental principles underlying different methods, ranging from the classical to the sophisticated. It focuses on calculating molecular structures and (relative) energies and less on molecular properties or dynamical aspects.
Автор: Atkins Название: Elements of Physical Chemistry ISBN: 0199608113 ISBN-13(EAN): 9780199608119 Издательство: Oxford Academ Рейтинг: Цена: 6862 р. Наличие на складе: Невозможна поставка.
Описание: Getting to grips with physical chemistry can be a daunting task. With new concepts to understand and a large amount of mathematics to master, it is no wonder that students can sometimes find it overwhelming. Elements of Physical Chemistry has been carefully developed to help the reader increase their confidence when using physics and mathematics to answer fundamental questions about the structure of molecules, how chemical reactions take place, and why materials behave the way they do. The content is tightly focussed and well-matched to undergraduate courses, making it easy to find the information needed. Topics are covered in a clear, easy-to-follow style, using everyday examples to help students to visualise things that can otherwise seem very abstract. This edition sees further development of the learning features. These include Chemist's toolkits, which provide a reminder of mathematical techniques or introductory chemistry needed to follow material in the chapters; Worked examples, providing a step-by-step route through a problem; Brief illustrations which explain how to use equations; and Self-tests, allowing students to check their understanding. On the accompanying Online Resource Centre, students have access to multiple choice questions and Webcasts; short videos showing, step-by-step, how to solve an exercise. For lecturers, there is a test bank and the figures from the text are available to download.
Описание: The new, revised and updated 7th edition of March s Advanced Organic Chemistry clearly explains the theories and examples of organic chemistry, providing the most comprehensive resource about organic chemistry available.
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