Search        

Current filters:
Add filters:

Use filters to refine the search results.

  • previous
  • 1
  • next
Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jun-2022YbB6_CAS+MRCIPetersen, ThorbenOrca; 5.0.3; RELEASESingle pointCASSCF; casscf; mrciCC-PVQZ; AUTOAUX-
thumbnail.jpeg30-Jun-2022CaB6_CAS+MRCIPetersen, ThorbenOrca; 5.0.3; RELEASESingle pointCASSCF; casscf; mrciCC-PVQZ; AUTOAUX-
Results 1-2 of 2 (Search time: 0.001 seconds).

Discover

Program name
Calculation type
Method