Titel:	Computational methods in lanthanide and actinide chemistry
Mitwirkende:	Dolg, Franz Michael [Hrsg.]
Verf.angabe:	ed. by Michael Dolg
Verlagsort:	Chichester, West Sussex
Verlag:	John Wiley & Sons
Jahr:	2015
Umfang:	XVIII, 458 S., [8] Bl.
Illustrationen:	Ill., graph. Darst.
Format:	25 cm
Fussnoten:	Includes bibliographical references and index
ISBN:	978-1-118-68831-1
Abstract:	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 Dolg
URL:	Cover: http://swbplus.bsz-bw.de/bsz42403347xcov.htm
Schlagwörter:	(s)Actinoide    / (s)Actinoidverbindungen    / (s)Computational chemistry
	(s)Seltenerdmetall    / (s)Lanthanoide    / (s)Lanthanoidverbindungen    / (s)Computational chemistry
	(s)Actinoide    / (s)Actinoidverbindungen    / (s)Computational chemistry
	(s)Seltenerdmetall    / (s)Lanthanoide    / (s)Lanthanoidverbindungen    / (s)Computational chemistry
Sprache:	eng
Reproduktion:	Online-Ausg.:: Computational methods in lanthanide and actinide chemistry. - Chichester: Wiley, 2015. - Online-Ressource (xviii, 458 Seiten)
RVK-Notation:	VH 8048
	VC 6100
K10plus-PPN:	798453699