III.F.1. (I.A.4.) |
List of which calculations are completed at B2PLYP=FULLultrafine /aug-cc-pCVTZ
Species | Name |
---|---|
SiH3+ | Silyl cation |
ArH+ | Argon hydride cation |
HCN+ | hydrogen cyanide cation |
MgS+ | magnesium sulfide cation |
SiF+ | silicon monofluoride cation |
SF+ | sulfur monofluoride cation |
SCl+ | sulfur monochloride cation |
SiF5- | silicon pentafluoride anion |