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.
thumbnail.jpeg18-Apr-2024tCo-CN+6H2O_tdwb_ccpVDZ_smdPearce, HarrisonGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD; TD-FCCC-PVDZ-1289.9129804; Eh
thumbnail.jpeg18-Apr-2024uracil+4H2O_tdb3_ccpVDZ_smdPearce, HarrisonGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FCCC-PVDZ-720.6545616; Eh
thumbnail.jpeg18-Apr-2024tCo-CN+6H2O_tdwb_pc1_smdPearce, HarrisonGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD; TD-FCGEN-1289.606966; Eh
thumbnail.jpeg18-Apr-2024tCo-CN+6H2O_tdpbe_pc1_smdPearce, HarrisonGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBE; TD-FCGEN-1288.5783945; Eh
thumbnail.jpeg18-Apr-2024uracil+4H2O_tdb3_tzvp_smdPearce, HarrisonGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FCTZVP-720.919834; Eh
thumbnail.jpeg18-Apr-2024uracil+4H2O_tdb3_pc1_smdPearce, HarrisonGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FCGEN-720.5123832; Eh
thumbnail.jpeg18-Apr-2024IIIprimeKiriakidi, SofiaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUM06DEF2SVPP-6257.1840573; Eh
thumbnail.jpeg18-Apr-2024IprimeKiriakidi, SofiaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06DEF2SVPP-4446.0775083; Eh
thumbnail.jpeg18-Apr-2024IIIKiriakidi, SofiaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUM06DEF2SVPP-2823.2662889; Eh
thumbnail.jpeg18-Apr-2024IVKiriakidi, SofiaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUM06DEF2SVPP-2823.2953573; Eh
Results 213281-213290 of 213620 (Search time: 0.197 seconds).

Discover