Transition Metal Theory 2e

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A comprehensive reference to fundamental molecular properties An updated, thorough reference as well as a textbook for graduate and advanced undergraduate students, Electronic Structure and Properties of Transition Metal Compounds: Introduction to the Theory, Second Edition offers researchers and teachers in the field a comprehensive understanding of fundamental molecular properties amidst cutting-edge applications. The Second Edition examines many of the new developments in theoretical chemistry and spectroscopy that have occurred since the previous edition, and presents the material in an accessible manner with a variety of example boxes and summary notes, questions, exercises, problem sets, and illustrations in each chapter. Many of the examples are of the problem-solving type. Together with essential improvement of the "classical" chapters such as crystal field theory, the molecular orbital method, and vibrations and vibronic coupling, novel material is introduced in the description of spectroscopic and magnetic properties, including a new section on gamma-resonance spectroscopy and methods of electronic structure calculation with an extended presentation of density-functional methods and a new section on quantum-classical methods of modeling large organometallic and metallobiochemical systems. Chapters on stereochemistry, charge transfer, and chemical reactivity were also significantly revised. Comprehensive and practical, Electronic Structure and Properties of Transition Metal Compounds, Second Edition will instill a higher level of understanding of the origins of formation, distortion, and transformation of molecular configurations due to essential participation of excited electronic states.