Calculated Bond Energies of Gas-Phase, Main-Group Metal Ions with Small Hydrocarbon Radicals
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
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|Source:||Journal of Physical Chemistry A|
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