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

Frankcombe, Terry

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

Date

2006

Authors

Frankcombe, Terry

Publisher

Elsevier

Abstract

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