Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity

  • ISBN 13:


  • ISBN 10:


  • Edition: 1st
  • Format: Hardcover
  • Copyright: 02/26/2013
  • Publisher: CRC Press

Note: Not guaranteed to come with supplemental materials (access cards, study guides, lab manuals, CDs, etc.)

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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 intheoretical 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 initiomethods, 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.

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