Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Jul-2025TS2Berga, CristinaGaussian; 16; ES64L-G16RevC.02Geometry optimization TSRCAM-B3LYP6-31G(D,P)-3597.76250598; Eh
thumbnail.jpeg18-Jul-2025P1IntBerga, CristinaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP6-31G(D,P)-3597.78722321; Eh
thumbnail.jpeg18-Jul-2025TS1Berga, CristinaGaussian; 16; ES64L-G16RevC.02Geometry optimization TSRCAM-B3LYP6-31G(D,P)-3597.76250598; Eh
thumbnail.jpeg18-Jul-2025P1-MMPPBerga, CristinaGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRCAM-B3LYP6-31G(D,P)-3597.78725734; Eh
thumbnail.jpeg6-Mar-2025THDP-perylene-AbsBerga, CristinaGaussian; 16; ES64L-G16RevC.02Single point StructureRCAM-B3LYP; TD-FC6-31G(D,P)-921.336911839; Eh
thumbnail.jpeg6-Mar-2025Perylene-AbsBerga, CristinaGaussian; 16; ES64L-G16RevC.02Single point StructureRCAM-B3LYP; TD-FC6-31G(D,P)-769.017662727; Eh
thumbnail.jpeg6-Mar-2025P1-A2Br-AbsBerga, CristinaGaussian; 16; ES64L-G16RevC.02Single point StructureRCAM-B3LYP; TD-FC6-31G(D,P)-9199.66704036; Eh
thumbnail.jpeg6-Mar-2025P1-A2H-AbsBerga, CristinaGaussian; 16; ES64L-G16RevC.02Single point StructureRCAM-B3LYP; TD-FC6-31G(D,P)-4057.25323031; Eh
thumbnail.jpeg6-Mar-2025P2-AbsBerga, CristinaGaussian; 16; ES64L-G16RevC.02Single point StructureRCAM-B3LYP; TD-FC6-31G(D,P)-3596.59362108; Eh
thumbnail.jpeg6-Mar-2025P1-AbsBerga, CristinaGaussian; 16; ES64L-G16RevC.02Single point StructureRCAM-B3LYP; TD-FC6-31G(D,P)-3597.78743874; Eh
Results 1-10 of 94 (Search time: 0.001 seconds).