The Bond Analysis Techniques (ELF and Maximum Probability Domains) Application to a Family of Models Relevant to Bio-Inorganic Chemistry

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Bibliographic Details
Published inApplications of Density Functional Theory to Biological and Bioinorganic Chemistry pp. 119 - 141
Main Authors Causà, Mauro, D’Amore, Maddalena, Garzillo, Carmine, Gentile, Francesco, Savin, Andreas
Format Book Chapter
LanguageEnglish
Published Berlin, Heidelberg Springer Berlin Heidelberg 14.11.2012
SeriesStructure and Bonding
Subjects
Density functional theory
Electron localization function
Maximum probability domains
Molecular orbitals
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ISBN:9783642327490
3642327494
ISSN:0081-5993
1616-8550
DOI:10.1007/978-3-642-32750-6_4