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.jpeg5-Jul-2024c60_X_complex_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ-3471.60693949; Eh
thumbnail.jpeg5-Jul-20242a_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ-3471.66402501; Eh
thumbnail.jpeg5-Jul-202406_Rh_X_bis_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3442.18053843; Eh
thumbnail.jpeg5-Jul-202404_XIII_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3442.16855801; Eh
thumbnail.jpeg5-Jul-202403_XII_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3442.12648421; Eh
thumbnail.jpeg5-Jul-202405_Rh_X_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3442.16500979; Eh
thumbnail.jpeg5-Jul-202402_XI_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3442.18055781; Eh
thumbnail.jpeg5-Jul-202407_X_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPCC-PVDZ-1185.15490964; Eh
thumbnail.jpeg5-Jul-202405_XIV_opt_freq_speArtigas, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RM06LCC-PVDZ CC-PVTZ GEN-3442.5007099; Eh
thumbnail.jpeg5-Jul-202401_Rh_1a_opt_freqArtigas, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3442.13932510; Eh
Results 1-10 of 21 (Search time: 0.001 seconds).

Discover

Program name
Method