Browsing by Subject Boron

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 1 to 4 of 4
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jun-2022CaB6_CAS+MRCIPetersen, ThorbenOrca; 5.0.3; RELEASESingle pointCASSCF; casscf; mrciCC-PVQZ; AUTOAUX-
thumbnail.jpeg30-Jun-2022CaB6_RHFPetersen, ThorbenOrca; 5.0.3; RELEASESingle pointRHFCC-PVQZ-152.50242481; Eh
thumbnail.jpeg30-Jun-2022YbB6_CAS+MRCIPetersen, ThorbenOrca; 5.0.3; RELEASESingle pointCASSCF; casscf; mrciCC-PVQZ; AUTOAUX-
thumbnail.jpeg30-Jun-2022YbB6_RHFPetersen, ThorbenOrca; 5.0.3; RELEASESingle pointRHFCC-PVQZ-153.56587464; Eh