Wentworth
Institute of Technology
Concepts and methods in modern theoretical chemistry electronic structure and reactivity /
"Written for students at advanced undergraduate and graduate levels, this book focuses on the electronic structures and reactivities of atoms and molecules. It begins with a general overview of topics and trends in theoretical chemistry including crystal engineering and computer-aided molecular...
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| Other Authors: | , |
| Format: | Electronic eBook |
| Language: | English |
| Published: |
Boca Raton :
CRC Press,
2013.
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| Series: | Atoms, molecules, and clusters (CRC Press)
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| Subjects: | |
| Online Access: |
Full text (WIT users only) |
| Summary: | "Written for students at advanced undergraduate and graduate levels, this book focuses on the electronic structures and reactivities of atoms and molecules. It begins with a general overview of topics and trends in theoretical chemistry including crystal engineering and computer-aided molecular design, then explores the more popular and successful quantum chemical techniques in use today. It pays particular attention to modern trends in the field. Techniques discussed include ab initio methods, density functional theory, and many body theory. It concludes with a discussion of other miscellaneous aspects of quantum chemistry such as electron correlations, molecular electronics, and reaction dynamics. Covers all the major areas of research in theoretical chemistry, particularly modern trends. Helps re-establish breadth of knowledge in the field after years of focused research. Timely, as the field has proliferated and diffused away from its core. Includes rigorous theoretical foundations as well as applications of vital chemical significance"-- |
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| Physical Description: | xxxv, 462 pages : illustrations. Also available in print edition. |
| Format: | Mode of access: World Wide Web. |
| Bibliography: | Includes bibliographical references and index. |
| ISBN: | 9781466505315 (e-book : PDF) |
| Additional Physical Form available Note: | Also available in print edition. |