III.F.1. (I.A.4.) |
List of which calculations are completed at QCISD(TQ) /daug-cc-pVTZ
Species | Name |
---|---|
Al- | Aluminum atom anion |
Si- | Silicon atom anion |
CH2- | methylene anion |
SiH5+ | Silane, protonated |
As- | Arsenic anion |
As+ | Arsenic cation |
PH3+ | Phosphine cation |
OH+ | hydoxyl cation |
H2O- | water anion |
H2O- | water anion |
ArH+ | Argon hydride cation |
Na2- | sodium diatomic anion |
C2H2+ | acetylene cation |
HNC+ | hydrogen isocyanide cation |
NNH+ | Dinitrogen monohydride cation |
CH2NH+ | Methanimine cation |
CO- | carbon monoxide anion |
CO+ | carbon monoxide cation |
SiSe+ | Silicon Monoselenide cation |
NO- | nitric oxide anion |
SO+ | sulfur monoxide cation |
HNO+ | Nitrosyl hydride cation |
HSO+ | Sulfur Monoxide, S-protonated |
SOH+ | Sulfur Monoxide, protonated |
H2CO+ | formaldehyde cation |
F2+ | flourine diatomic cation |
Cl2+ | chlorine diatomic cation |
HOCl+ | hypochlorous acid cation |
ClFH+ | Chlorine fluoride, F-protonated |
FClH+ | Chlorine fluoride, Cl-protonated |