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El. knyga: Theoretical And Computational Aspects Of Magnetic Organic Molecules

(Indian Inst Of Technology, Bombay, India), (Univ Of Virginia, Usa), (Univ De Barcelona, Spain)
  • Formatas: 348 pages
  • Išleidimo metai: 23-Dec-2013
  • Leidėjas: Imperial College Press
  • Kalba: eng
  • ISBN-13: 9781908977236
  • Formatas: 348 pages
  • Išleidimo metai: 23-Dec-2013
  • Leidėjas: Imperial College Press
  • Kalba: eng
  • ISBN-13: 9781908977236

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Organic materials with extraordinary magnetic properties promise a wide range of light, flexible, and inexpensive alternatives to familiar metal-based magnets. Individual organic molecules with high magnetic moments will be the foundation for design and fabrication of these materials.This book provides a systematic understanding of the structure and properties of organic magnetic molecules. After a summary of the phenomenon of magnetism at the molecular level, it presents a survey of the challenges to theoretical description and evaluation of the magnetic character of open-shell molecules, and an overview of recently developed methods and their successes and shortfalls. Several fields of application, including very strong organic molecular magnets and photo-magnetic switches, are surveyed. Finally, discussions on metal-based materials and simultaneously semiconducting and ferromagnetic extended systems and solids point the way toward future advances.The reader will find a comprehensive discourse on current understanding of magnetic molecules, a thorough survey of computational methods of characterizing known and imagined molecules, simple rules for design of larger magnetic systems, and a guide to opportunities for progress toward organic magnets.
Preface vii
Chapter 1 Introduction to Magnetism
1(14)
Chapter 2 Organic Molecules, Radicals, and Spin States
15(28)
Chapter 3 Theoretical Methodologies
43(26)
Chapter 4 Molecular Orbital Description of Magnetic Organic Systems
69(30)
Chapter 5 Qualitative Methods for Predicting Molecular Spin States
99(42)
Chapter 6 Quantum Chemical Calculations: Structural Trends
141(50)
Chapter 7 Strongly Coupled Magnetic Molecules
191(32)
Chapter 8 Photomagnetic Effects
223(26)
Chapter 9 Transition Metal Complexes
249(34)
Chapter 10 Computational Studies of Inorganic Clusters and Solid Systems
283(26)
Chapter 11 A Look Ahead
309(20)
Index 329