1. Barcelona Supercomputing Center

Search        

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 required26-Feb-2026RUFO-I3Kirk, AliciaGaussian; 16; ES64L-G16RevC.02Single point Structure-DUMMY-4483.56406694; Eh
Login required26-Feb-2026RUFO-TS2Kirk, AliciaGaussian; 16; ES64L-G16RevC.02Single point Structure-DUMMY-4483.57435968; Eh
Login required26-Feb-2026RUFO-TS5Kirk, AliciaGaussian; 16; ES64L-G16RevC.02Single point Structure-DUMMY-4483.56235016; Eh
Login required26-Feb-2026RUFO-P2Kirk, AliciaGaussian; 16; ES64L-G16RevC.02Single point Structure-DUMMY-4483.62906874; Eh
Login required26-Feb-2026RUFO-TS4Kirk, AliciaGaussian; 16; ES64L-G16RevC.02Single point Structure-DUMMY-4483.58801800; Eh
Login required26-Feb-2026RUFO-TS3Kirk, AliciaGaussian; 16; ES64L-G16RevC.02Single point Structure-DUMMY-4483.57891839; Eh
Login required26-Feb-2026RUFO-I2Kirk, AliciaGaussian; 16; ES64L-G16RevC.02Single point Structure-DUMMY-4483.57955580; Eh
thumbnail.jpeg28-Feb-2026C_15_P_1_15_F_1_P_1_15_F_1_sp_orcaMulks, Florian; Barrera, YoshioOrca; 5.0.4; RELEASESingle pointDFTdef2-QZVPP; def2-QZVPP/C; def2/J-366.62811963; Eh
thumbnail.jpeg28-Feb-2026C_15_P_1_15_F_P_1_15_F_sp_orcaMulks, Florian; Barrera, YoshioOrca; 5.0.4; RELEASESingle pointDFTdef2-QZVPP; def2-QZVPP/C; def2/J-466.53882794; Eh
thumbnail.jpeg28-Feb-2026C_14_R_1_14_R_1_14_sp_orcaMulks, Florian; Barrera, YoshioOrca; 5.0.4; RELEASESingle pointDFTdef2-QZVPP; def2-QZVPP/C; def2/J-227.21456043; Eh
Results 383071-383080 of 397867 (Search time: 0.257 seconds).

Discover