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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Oct-2021/cyc/ox1 s_cyc_23_43_1_101-000Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6606416; Eh
thumbnail.jpeg2-Oct-2021/lin/ox3 d_lin_c_37_3_111-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3783702; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 d_lin_c_44_2_111-010Blancafort, LluísGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6236672; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 z_lin_t_44_1_001-001Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8583814; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 s_cyc_17_23_1_x11-000Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6573039; Eh
thumbnail.jpeg2-Oct-2021/lin/ox3 z_lin_c_27_3_111-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3248956; Eh
thumbnail.jpeg2-Oct-2021/lin/ox3 d_lin_t_44_3_111-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3709352; Eh
thumbnail.jpeg2-Oct-2021/lin/ox3 d_lin_t_33_3_111-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3929339; Eh
thumbnail.jpeg2-Oct-2021/lin/ox3 d_lin_c_77_3_111-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3506881; Eh
thumbnail.jpeg2-Oct-2021/lin/ox3 d_lin_c_33_3_111-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3912561; Eh
Results 31-40 of 830 (Search time: 0.001 seconds).