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Calculated Bond Energies of Gas-Phase, Main-Group Metal Ions with Small Hydrocarbon Radicals

Petrie, Simon

Description

High-level ab initio calculations, using the CPd-G2thaw and CP-G2 composite computational procedures (combined with spin projection techniques when appropriate), are used to explore the bonding between the metal monocations Na+, Mg+, Al+, K+, and Ca+ and

CollectionsANU Research Publications
Date published: 2002
Type: Journal article
URI: http://hdl.handle.net/1885/74460
Source: Journal of Physical Chemistry A
DOI: 10.1021/jp020433j

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