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The Journal of Chemical Physics
Article
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Article . 2004
License: CC 0
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The Journal of Chemical Physics
Article . 2004 . Peer-reviewed
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Density functional investigations of the properties and thermochemistry of UFn and UCln (n=1,…,6)

Authors: Batista, Enrique R.; Martin, Richard L.; Hay, P. Jeffrey;

Density functional investigations of the properties and thermochemistry of UFn and UCln (n=1,…,6)

Abstract

The structural properties and thermochemistry of the UFn and UCln (n=1,…,6) molecules have been investigated using hybrid density functional theory and a small-core (60 electrons) relativistic effective core potential for the uranium atom. For the first time Bond dissociation energies for this whole series are computed and shown to be in good agreement with experiment. The geometry and electronic structure of each molecule was characterized.

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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