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عنوان
Computational methods in lanthanide and actinide chemistry

پدید آورنده
edited by Michael Dolg, Institute for Theoretical Chemistry, University of Cologne, Germany

موضوع
، Rare earth metals,، Actinide elements,، Chemistry, Inorganic

رده
QD
172
.
R2
C59
2015

کتابخانه
Library of Razi Metallurgical Research Center

محل استقرار
استان: Tehran ـ شهر: Tehran

Library of Razi Metallurgical Research Center

تماس با کتابخانه : 46831570-021

OTHER STANDARD IDENTIFIER

Standard Number
electronic

TITLE AND STATEMENT OF RESPONSIBILITY

Title Proper
Computational methods in lanthanide and actinide chemistry

.PUBLICATION, DISTRIBUTION, ETC

Place of Publication, Distribution, etc.
Chichester, West Sussex, UK
Name of Publisher, Distributor, etc.
Wiley
Date of Publication, Distribution, etc.
2015

PHYSICAL DESCRIPTION

Specific Material Designation and Extent of Item
xviii, 458 pages : illustrations )some color( ; 26 cm

GENERAL NOTES

Text of Note
Includes bibliographical references and index

NOTES PERTAINING TO TITLE AND STATEMENT OF RESPONSIBILITY

Text of Note
edited by Michael Dolg, Institute for Theoretical Chemistry, University of Cologne, Germany

CONTENTS NOTE

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 Barandiarعan and Luis Seijo -- 01. Judd-Ofelt Theory : The Golden )and the Only One( Theoretical Tool of f-Electron Spectroscopy / Lidia Smentek -- 11. Applied Computational Actinide Chemistry / Andrعe Severo Pereira Gomes, Florent Rعeal, Bernd Schimmelpfennig, Ulf Wahlgren and Valعerie Vallet -- 21. 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 -- 31. 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 -- 41. Computational Studies of Bonding and Reactivity in Actinide Molecular Complexes / Enrique R. Batista, Richard L. Martin and Ping Yang -- 51. The 23-Electron Principle : A New Magic Number / Pekka Pyykk o, Carine Clavaguعera and Jean-Pierre Dognon -- 61. Shell Structure, Relativistic and Electron Correlation Effects in f Elements and Their Importance for Cerium)III(-based Molecular Kondo System / Michael Dolg

TOPICAL NAME USED AS SUBJECT

Entry Element
، Rare earth metals
Entry Element
، Actinide elements
Entry Element
، Chemistry, Inorganic

LIBRARY OF CONGRESS CLASSIFICATION

Class number
QD
172
.
R2
C59
2015

PERSONAL NAME - PRIMARY RESPONSIBILITY

Relator Code
TI

AU Dolg, Michael editor 1958-,

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