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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Jun-2019/Pinacolato Int3_Ni_B_CCs2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1446.78402288; Eh
Login required21-Jun-2019/Pinacolato TS4after2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1446.79026117; Eh
Login required21-Jun-2019/Pinacolato TS4-afterMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1446.79207287; Eh
Login required21-Jun-2019/Pinacolato TS4C_BMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1446.74562497; Eh
Login required21-Jun-2019/Pinacolato benzofuran2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311G**-383.762669728; Eh
Login required21-Jun-2019/Pinacolato Prev_benzofuran2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1713.56545359; Eh
Login required21-Jun-2019/Pinacolato TS1_benzofuran2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1713.52611512; Eh
thumbnail.jpeg11-Feb-2022Me2PhSiH_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPDEF2TZVP GEN-601.769459; Eh
thumbnail.jpeg11-Feb-2022HNSi_s_v1Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D,P) GEN-1476.00649053; Eh
thumbnail.jpeg11-Feb-2022HNSi_s_v2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D,P) GEN-1476.00324422; Eh
Results 11-20 of 8009 (Search time: 0.001 seconds).