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Relativistic methods for chemists.

Publisher: [Place of publication not identified] : Springer, 2012.
Edition/Format:   Print book : EnglishView all editions and formats
Summary:

This book covers relativistic effects in atomic and molecular systems and processes as well as their consequences for the interpretation of the heavy element's chemistry. It details theory and  Read more...

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Document Type: Book
ISBN: 940073204X 9789400732049
OCLC Number: 935010596
Contents: 1. An Introduction to Relativistic Quantum Chemistry (W.H. Eugen Schwarz).- 2. Relativistic Effects and the Chemistry of the Heavier Main Group Elements (John S. Thayer).- 3. Why do we Need Relativistic Computational Methods? (Jacek Styszynski).- 4. Two-Component Relativistic Theories (Maria Barysz).- 5. Relativistic Density Functional Theory (Christoph van Wullen).- 6. Relativistic Pseudopotentials (Xiaoyan Cao and Michael Dolg).- 7. Four-Component Electronic Structure Methods (Ephraim Eliav and Uzi Kaldor).- 8. The Effects Of Relativity in Materials Science: Core Electron-Spectra (R. Broer).- 9. Relativistic Symmetries in the Electronic Structure and Properties of Molecules (Devashis Majumdar, Szczepan Roszak, and Jerzy Leszczynski).- 10. Relativistic String-Based Electron Correlation Methods (Timo Fleig).- 11. Electronic Structure and Chemistry of the Heaviest Elements (V. Pershina).- 12. Relativistic Effects on Magnetic Resonance Parameters and Other Properties of Inorganic Molecules and Metal Complexes (Jochen Autschbach).

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