1. Barcelona Supercomputing Center

Search        

Current filters:
Start a new search
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Apr-2024TS6-3CO_SPvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-2095.21564109; Eh
Login required21-Apr-2024TS1-5_SPvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1981.88548129; Eh
Login required21-Apr-2024TS5-2_SPvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1981.85954032; Eh
Login required24-Apr-2024nitrobenzene-2eMulks, FlorianOrca; 5.0.4; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-434.66352759; Eh
Login required24-Apr-2024nitrobenzene-1eMulks, FlorianOrca; 5.0.4; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-435.26806872; Eh
Login required24-Apr-2024nitrobenzeneMulks, FlorianOrca; 5.0.4; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-435.61881627; Eh
Login required31-Mar-2024(Toluene)K(NTMS2)2ZnCH2Ph+1eMulks, FlorianOrca; 5.0.4; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-4662.37365181; Eh
Login required31-Mar-2024chlorobutene+2eMulks, FlorianOrca; 5.0.4; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-615.70935650; Eh
Login required21-Apr-2024TS1-2_SPvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-2095.24473564; Eh
Login required21-Apr-2024Benzaldehyde_SPvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-345.58478635; Eh
Results 80431-80440 of 80443 (Search time: 0.065 seconds).

Discover