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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Nov-2018/RS_1_to_RRS_1_DFT RS-1toRRS-2_B3LYP_6-31plGdp_transition-stateVan der Kamp, Marc; Serapian, StefanoGaussian; 09; ES64L-G09RevD.01Single point MinimumRB3LYP--1612.70986788; Eh
thumbnail.jpeg30-May-2022AcOHPrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-228.914750822; Eh
thumbnail.jpeg30-May-2022ArenePrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-479.045285911; Eh
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.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_TT_TS1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Single point MinimumRB3LYPGENECP-4320.07636395; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_CT_TS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point MinimumRB3LYPGENECP-4280.75404494; Eh
Results 1-10 of 17 (Search time: 0.002 seconds).