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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Nov-2023/Co2Fe2-WK L_Co2Fe2-OBesora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) 6-31G GENECP-7320.30851278; Eh
thumbnail.jpeg6-Nov-2023/Co3W-WK F_Co3W-OBesora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) 6-31G GENECP-7286.15535631; Eh
thumbnail.jpeg6-Nov-2023/Co3W-WK AtoB_Co3W(H)-OH2Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) 6-31G GENECP-7288.15683637; Eh
thumbnail.jpeg6-Nov-2023/Co3W-WK B_Co3W(HH)-OH2Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) 6-31G GENECP-7288.80277618; Eh
thumbnail.jpeg6-Nov-2023/Co3W-WK A_Co3W-OH2Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) 6-31G GENECP-7287.85156383; Eh
thumbnail.jpeg6-Nov-2023/Co3W-WK E_Co3W-OHBesora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) 6-31G GENECP-7286.81906617; Eh
thumbnail.jpeg11-Mar-20243Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-1342.86899793; Eh
thumbnail.jpeg11-Mar-20244Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-1342.94248630; Eh
thumbnail.jpeg11-Mar-2024Li2-4Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-1358.00437267; Eh
thumbnail.jpeg11-Mar-2024CuPS-reducedSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-3572.36523688; Eh
Results 161-170 of 183 (Search time: 0.0 seconds).