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2010, ISBN: 1402099746

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Relativistic Methods for Chemists - Barysz, Maria / Ishikawa, Yasuyuki (ed.)
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Relativistic Methods for Chemists - Prima edizione

2010, ISBN: 9781402099748

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Barysz, Maria Ishikawa, Yasuyuki:
Relativistic Methods for Chemists - Prima edizione

2010

ISBN: 9781402099748

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[ED: Gebunden], [PU: Springer Netherlands], Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Features relativistic effects in atoms and mol… Altro …

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2010, ISBN: 9781402099748

Springer, Gebundene Ausgabe, Auflage: 2010, 627 Seiten, Publiziert: 2010-04-30T00:00:01Z, Produktgruppe: Buch, Hersteller-Nr.: 9781402099748, 2.32 kg, Maschinenbau, Ingenieurwissenschafte… Altro …

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Maria Barysz:
Relativistic Methods for Chemists - copertina rigida, flessible

2010, ISBN: 1402099746

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Relativistic Methods for Chemists (Challenges and Advances in Computational Chemistry and Physics, 10, Band 10)

"Relativistic Methods for Chemists", written by a highly qualified team of authors, is targeted at both experimentalists and theoreticians interested in the area of relativistic effects in atomic and molecular systems and processes and in their consequences for the interpretation of the heavy element's chemistry. The theoretical part of the book focuses on the relativistic methods for molecular calculations discussing relativistic two-component theory, density functional theory, pseudopotentials and correlations. The experimentally oriented chapters describe the use of relativistic methods in different applications focusing on the design of new materials based on heavy element compounds, the role of the spin-orbit coupling in photochemistry and photobiology, and chirality and its relations to relativistic description of matter and radiation. This book is written at an intermediate level in order to appeal to a broader audience than just experts working in the field of relativistic theory. TOC: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 Wüllen).- 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).

Informazioni dettagliate del libro - Relativistic Methods for Chemists (Challenges and Advances in Computational Chemistry and Physics, 10, Band 10)


EAN (ISBN-13): 9781402099748
ISBN (ISBN-10): 1402099746
Copertina rigida
Anno di pubblicazione: 2010
Editore: Barysz, Maria, Ishikawa, Yasuyuki, Springer
613 Pagine
Peso: 1,053 kg
Lingua: eng/Englisch

Libro nella banca dati dal 2009-01-13T15:48:39+01:00 (Rome)
Pagina di dettaglio ultima modifica in 2024-01-10T08:00:07+01:00 (Rome)
ISBN/EAN: 1402099746

ISBN - Stili di scrittura alternativi:
1-4020-9974-6, 978-1-4020-9974-8
Stili di scrittura alternativi e concetti di ricerca simili:
Autore del libro : ishikawa, yasuyuki, maria, bary
Titolo del libro: methods computational chemistry, methods computational physics


Dati dell'editore

Autore: Maria Barysz; Yasuyuki Ishikawa
Titolo: Challenges and Advances in Computational Chemistry and Physics; Relativistic Methods for Chemists
Editore: Springer; Springer Netherland
613 Pagine
Anno di pubblicazione: 2010-04-30
Dordrecht; NL
Stampato / Fatto in
Peso: 2,320 kg
Lingua: Inglese
320,99 € (DE)
329,99 € (AT)
354,00 CHF (CH)
POD
XIV, 613 p.

BB; Theoretical and Computational Chemistry; Hardcover, Softcover / Chemie/Theoretische Chemie; Quanten- und theoretische Chemie; Verstehen; Computational Studies; Experimental Studies; Heavy Atoms; Heavy Elements; Relativistic Effects; Relativistic Methods; Relativistic Theory; Relativity; chemistry; Physical Chemistry; Materials Science, general; Inorganic Chemistry; Theoretical Chemistry; Physical Chemistry; Materials Science; Inorganic Chemistry; Physikalische Chemie; Materialwissenschaft; Anorganische Chemie; BC; EA

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 Wüllen).- 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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