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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Oct-2021/lin/ox2 z_lin_c_23_2_111-001Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6131829; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 s_cyc_34_34_1_110-000Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.7161089; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 z_lin_t_47_1_100-010Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.837023; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_47_2_101-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6107334; Eh
thumbnail.jpeg2-Oct-2021/lin/ox3 d_lin_t_37_3_111-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3781737; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 s_cyc_17_23_1_x00-101Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6603136; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 d_lin_c_47_2_111-100Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.5866332; Eh
thumbnail.jpeg2-Oct-2021/lin/ox3 z_lin_t_22_3_111-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.311648; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_23_43_1_100-010Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6349913; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_t_77_1_110-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8752341; Eh
Results 11-20 of 831 (Search time: 0.0 seconds).