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.jpeg30-May-2022Side_ProductPrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-379.624379165; Eh
thumbnail.jpeg30-May-2022TS1Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-1207.71800786; Eh
thumbnail.jpeg30-May-2022OlefinPrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-496.256615874; Eh
thumbnail.jpeg30-May-2022ProductPrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-595.687909087; Eh
thumbnail.jpeg30-May-2022TS5Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-1096.62195861; Eh
thumbnail.jpeg18-Mar-2022adduct_HCOOH-TEOASolé-Daura, AlbertGaussian; 16; EM64W-G16RevC.01Single point Minimum-6-31G(D,P)-707.646932341; Eh
Login required27-Sep-2021SCO_B3LYP_S7_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUB3LYPDEF2TZVP-5117.50524376; Eh
Login required27-Sep-2021SCO_B3LYP_S6_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUB3LYPDEF2TZVP-3114.14175826; Eh
Login required27-Sep-2021SCO_B3LYP_S18_LS_OLDVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUB3LYPDEF2TZVP-2832.23878577; Eh
Login required27-Sep-2021SCO_B3LYP_S16_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUB3LYPDEF2TZVP-2642.48468306; Eh
Results 21-30 of 115 (Search time: 0.006 seconds).