عنوان

Computational methods in lanthanide and actinide chemistry /

شابک

1118688287 (ePub)

شابک

1118688295 (Adobe PDF)

شابک

1118688309

شابک

1118688317

شابک

9781118688281 (ePub)

شابک

9781118688298 (Adobe PDF)

شابک

9781118688304

شابک

9781118688311

شابک اشتباه

9781118688311 (cloth)

شماره

dltt

عنوان اصلي

Computational methods in lanthanide and actinide chemistry /

نام عام مواد

[Book]

نام نخستين پديدآور

Michael Dolg

نام خاص و کميت اثر

1 online resource

متن يادداشت

Includes bibliographical references and index

متن يادداشت

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

بدون عنوان

0

عنوان

Computational methods in lanthanide and actinide chemistry

شماره استاندارد بين المللي کتاب و موسيقي

9781118688311

موضوع مستند نشده

Actinide elements.

موضوع مستند نشده

Chemistry, Inorganic.

موضوع مستند نشده

Rare earth metals.

موضوع مستند نشده

SCI-- 013030

شماره

ويراست

شماره رده

مستند نام اشخاص تاييد نشده

Dolg, Michael,1958-

مستند نام تنالگان تاييد نشده

Ohio Library and Information Network.

تاريخ عمليات

20160603081435.3

قواعد فهرست نويسي ( بخش توصيفي )

rda

نام الکترونيکي

نوع ماده

[Book]

تكميل شده

Y