Modeling and analysis of hydrogen atoms

14 Citations (Scopus)

Abstract

Hydrogen atoms are elusive seen from the point of view of the X-ray crystallographer. But they are also extremely important, being involved in a wealth of intermolecular interactions and thereby defining the way molecules interact. Most experimental charge density studies are performed on compounds containing hydrogen, yet a commonly accepted strategy to deal with these elusive but so important atoms is only just about to surface. We review the efforts to determine a strategy for the modeling of hydrogen atoms, as well as a number of recent studies where the modeling of hydrogen atoms has had a major impact on the chemical conclusions drawn from analysis of the experimental charge densities.

Original languageEnglish
Title of host publicationElectron density and chemical bonding I : experimental charge density studies
EditorsDietmar Stalke
Number of pages32
PublisherSpringer
Publication date2012
Pages21-52
ISBN (Print)978-3-642-30801-7
ISBN (Electronic)978-3-642-30802-4
DOIs
Publication statusPublished - 2012
SeriesStructure and Bonding
Volume146
ISSN0081-5993

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