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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Oct-2021/lin/ox2 z_lin_t_22_2_100-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.5821833; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_47_1_011-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8962358; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_17_17_1_x01-x01Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6404598; Eh
thumbnail.jpeg2-Oct-2021/lin/ox3 d_lin_t_77_3_111-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3481283; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_37_1_000-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8760099; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_23_2_110-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6334734; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 s_cyc_17_34_1_x00-011Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6916344; Eh
thumbnail.jpeg2-Oct-2021/lin/ox3 d_lin_c_44_3_111-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.36737; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 z_lin_c_22_2_001-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6231608; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 z_lin_c_34_1_010-010Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8647424; Eh
Results 21-30 of 830 (Search time: 0.001 seconds).