III.F.1. (I.A.4.) |
List of which calculations are completed at CISD /6-31G(2df,p)
Species | Name |
---|---|
Be+ | Beryllium atom cation |
Mg+ | Magnesium atom cation |
B+ | Boron atom cation |
Al+ | Aluminum atom cation |
C+ | Carbon atom cation |
Si+ | Silicon atom cation |
N+ | Nitrogen atom cation |
O+ | Oxygen atom cation |
F+ | Fluorine atom cation |
Cl+ | Chlorine atom cation |
Ne+ | Neon atom cation |
BO- | boron monoxide anion |
CF- | carbon monofluoride anion |