عنوان

Computational methods in lanthanide and actinide chemistry /

(Number (ISBN

1118688287 (ePub)

(Number (ISBN

1118688295 (Adobe PDF)

(Number (ISBN

1118688309

(Number (ISBN

1118688317

(Number (ISBN

9781118688281 (ePub)

(Number (ISBN

9781118688298 (Adobe PDF)

(Number (ISBN

9781118688304

(Number (ISBN

9781118688311

Erroneous ISBN

9781118688311 (cloth)

Number

dltt

Title Proper

Computational methods in lanthanide and actinide chemistry /

General Material Designation

[Book]

First Statement of Responsibility

Michael Dolg

Specific Material Designation and Extent of Item

1 online resource

Text of Note

Includes bibliographical references and index

Text of Note

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 Barandiarán 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 / André Severo Pereira Gomes, Florent Réal, Bernd Schimmelpfennig, Ulf Wahlgren and Valérie 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 Pyykkö, Carine Clavaguéra 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

0

Title

Computational methods in lanthanide and actinide chemistry

International Standard Book Number

9781118688311

Actinide elements.

Chemistry, Inorganic.

Rare earth metals.

SCI-- 013030

Number

Edition

Class number

Dolg, Michael,1958-

Ohio Library and Information Network.

Date of Transaction

20160603081435.3

Cataloguing Rules (Descriptive Conventions))

rda

Electronic name

[Book]

Y