The odd power of dispersion

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2014-01-01
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Xu, Peng
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Mark S. Gordon
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Altmetrics
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Chemistry
Abstract

The intermolecular interactions, including charge transfer, dispersion, exchange repulsion, are studied in-depth in the framework of the general effective fragment potential method, which is a discrete model potential method. The solvated electron is studied using a renormalized coupled-cluster approach in the cluster-in-molecule framework. The explicit core electron correlation is recognized to play a key role in describing the binding of silane with three different boron-containing compounds.

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Wed Jan 01 00:00:00 UTC 2014