Ideas of Quantum Chemistry, Volume 2: Interactions and Tools highlights the key motions and systems in quantum chemistry, and the models and tools used to assess them, giving detailed insight into the behaviors underlying quantum chemistry. Using an innovative structure to show the logical relationships between different topics, systems and methods, it answers frequently asked questions and emphasizes knowledge with practical examples throughout. Beginning with a review of the orbital model of electronic motion in periodic systems, the book goes on to explore key areas such as the correlation of electronic motions, density functional theory (DFT), and electric and magnetic fields. Intermolecular interactions and chemical reactions are also explored, followed by a discussion on information processing.The 2nd volume in this 2 volume expansion, Ideas of Quantum Chemistry: Interactions and Tools has been updated and revised to cover the latest developments in the field, and can be used either on its own as a guide to key interactions and tools, or in combination with volume 1 to give a complete overview of the field. It is an authoritative introduction for beginners, a useful tool for specialists in advanced areas of quantum chemistry, and a practical overview for all those working in related circles, from computational chemists and material scientists to biotechnologists and drug designers. Features a practical range of quantum chemical problems throughout to support understanding of interactionsUses informal language and unique structure make complex topics accessible and allow material to be tailored to the specific needs of the readerIncludes new sections on Electronic Currents, Electron Autocorrelation, and Spintronics INDICE: 1. Orbital Model of Electronic Motion in Periodic Systems2. Correlation of the Electronic Motions3. Chasing Correlation Dragon: Density Functional Theory (DFT)4. The Molecule Subject to the Electric or Magnetic Field5. Intermolecular Interactions6. Chemical Reactions7. Information Processing - The Mission of Chemistry
- ISBN: 978-0-444-64248-6
- Editorial: Elsevier
- Encuadernacion: Rústica
- Páginas: 685
- Fecha Publicación: 01/11/2019
- Nº Volúmenes: 1
- Idioma: Inglés