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A computational study of the pyrrole···CO and pyridine···CO complexes

Frankcombe, Terry

Description

Pyrrole⋯CO and pyridine⋯CO van der Waals clusters in various configurations have been studied at the MP2/cc-pVQZ level in order to resolve ambiguity in previous microwave spectroscopy studies. For pyrrole⋯CO the previously proposed configuration - w

CollectionsANU Research Publications
Date published: 2006
Type: Journal article
URI: http://hdl.handle.net/1885/56535
Source: Journal of Molecular Structure: Theochem
DOI: 10.1016/j.theochem.2006.08.023

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