Structure and Bonding - Principles and Applications of Density Functional Theory in Inorganic Chemistry II
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Published By Springer Berlin Heidelberg

9783540218616, 9783540409663

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Recent Developments in Computational Bioinorganic Chemistry

Structure and Bonding - Principles and Applications of Density Functional Theory in Inorganic Chemistry II ◽

10.1007/b97941 ◽

2012 ◽

pp. 37-70 ◽

Author(s):

Robert J. Deeth

Keyword(s):

Bioinorganic Chemistry ◽

Recent Developments

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Theoretical Study of the Exchange Coupling in Large Polynuclear Transition Metal Complexes Using DFT Methods

Structure and Bonding - Principles and Applications of Density Functional Theory in Inorganic Chemistry II ◽

10.1007/b97942 ◽

2012 ◽

pp. 71-102 ◽

Author(s):

Eliseo Ruiz

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Exchange Coupling ◽

Theoretical Study ◽

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Agostic Interactions from a Computational Perspective: One Name, Many Interpretations

Structure and Bonding - Principles and Applications of Density Functional Theory in Inorganic Chemistry II ◽

10.1007/b97940 ◽

2012 ◽

pp. 1-36 ◽

Author(s):

Eric Clot ◽

Odile Eisenstein

Keyword(s):

Computational Perspective

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Computing the Properties of Materials from First Principles with SIESTA

Structure and Bonding - Principles and Applications of Density Functional Theory in Inorganic Chemistry II ◽

10.1007/b97943 ◽

2012 ◽

pp. 103-170 ◽

Author(s):

Daniel Sánchez-Portal ◽

Pablo Ordejón ◽

Enric Canadell

Keyword(s):

First Principles ◽

Properties Of Materials

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The Performance of Hybrid Density Functionals in Solid State Chemistry

Structure and Bonding - Principles and Applications of Density Functional Theory in Inorganic Chemistry II ◽

10.1007/b97944 ◽

2012 ◽

pp. 171-232 ◽

Author(s):

Furio Corà ◽

Maria Alfredsson ◽

Giuseppe Mallia ◽

Derek S. Middlemiss ◽

William C. Mackrodt ◽

...

Keyword(s):

Solid State ◽

Solid State Chemistry ◽

Density Functionals

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