Computational methods in lanthanide and actinide chemistry / ed. by Michael Dolg

Mitwirkende(r):

Dolg, Franz Michael, 1958- [Hrsg.]

Resource type: Ressourcentyp: BuchBuchSprache: Englisch Verlag: Chichester, West Sussex : John Wiley & Sons, 2015Beschreibung: XVIII, 458 S., [8] Bl. : Ill., graph. Darst. ; 25 cmISBN:

9781118688311

Weitere Titel:

Lanthanide and actinide chemistry

Schlagwörter:

Andere physische Formen: Erscheint auch als: Computational methods in lanthanide and actinide chemistry. Online-Ausgabe. Chichester : Wiley, 2015. Online-Ressource (xviii, 458 Seiten)DDC-Klassifikation:

546/.41 23
546.40285

RVK: RVK: VC 6100 | VH 8048LOC-Klassifikation:

QD172.R2

Zusammenfassung: 1. Relativistic Configuration Interaction Calculations for Lanthanide and Actinide Anions / Donald R. Beck, Steven M. O'Malley and Lin Pan -- 2. Study of Actinides by Relativistic Coupled Cluster Methods / Ephraim Eliav and Uzi Kaldor -- 3. Relativistic All-Electron Approaches to the Study of f Element Chemistry / Trond Saue and Lucas Visscher -- 4. Low-Lying Excited States of Lanthanide Diatomics Studied by Four-Component Relativistic Configuration Interaction Methods / Hiroshi Tatewaki, Shigeyoshi Yamamoto and Hiroko Moriyama -- 5. The Complete-Active-Space Self-Consistent-Field Approach and Its Application to Molecular Complexes of the f-Elements / Andrew Kerridge -- 6. Relativistic Pseudopotentials and Their Applications / Xiaoyan Cao and Anna Weigand -- 7. Error-Balanced Segmented Contracted Gaussian Basis Sets : A Concept and Its Extension to the Lanthanides / Florian Weigend -- 8. Gaussian Basis Sets for Lanthanide and Actinide Elements : Strategies for Their Development and Use / Kirk A. Peterson and Kenneth G. Dyall -- 9. 4f, 5d, 6s, and Impurity-Trapped Exciton States of Lanthanides in Solids / Zoila Barandiarâan and Luis Seijo -- 10. Judd-Ofelt Theory : The Golden (and the Only One) Theoretical Tool of f-Electron Spectroscopy / Lidia Smentek -- 11. Applied Computational Actinide Chemistry / Andrâe Severo Pereira Gomes, Florent Râeal, Bernd Schimmelpfennig, Ulf Wahlgren and Valâerie Vallet -- 12. Computational Tools for Predictive Modeling of Properties in Complex Actinide Systems / Jochen Autschbach, Niranjan Govind, Raymond Atta-Fynn, Eric J. Bylaska, John W. Weare and Wibe A. de Jong -- 13. Theoretical Treatment of the Redox Chemistry of Low Valent Lanthanide and Actinide Complexes / Christos E. Kefalidis, Ludovic Castro, Ahmed Yahia, Lionel Perrin and Laurent Maron -- 14. Computational Studies of Bonding and Reactivity in Actinide Molecular Complexes / Enrique R. Batista, Richard L. Martin and Ping Yang -- 15. The 32-Electron Principle : A New Magic Number / Pekka Pyykkèo, Carine Clavaguâera and Jean-Pierre Dognon -- 16. Shell Structure, Relativistic and Electron Correlation Effects in f Elements and Their Importance for Cerium(III)-based Molecular Kondo System / Michael DolgCall number: Grundsignatur: 2015 E 873PPN: PPN: 798453699

Exemplare ( 1 )

Exemplare
Medientyp	Heimatbibliothek	Standort	Signatur	Status	Fälligkeitsdatum	Barcode
Handbibliothek	INE	Handbibliothek (Ausleihe und Einsicht nicht möglich)	2015 E 873	Ausgeliehen Ausleihe und Einsicht nicht möglich	19.10.2035	51778382090

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