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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_t_44_1_110-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8744546; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_44_2_110-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6124207; Eh
thumbnail.jpeg2-Oct-2021/lin/ox3 z_lin_t_24_3_111-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3371786; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 s_cyc_23_34_1_000-101Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.642508; Eh
thumbnail.jpeg2-Oct-2021/lin/ox3 z_lin_t_27_3_111-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.326506; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 s_cyc_34_67_1_000-11xBlancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6516224; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 z_lin_t_33_2_001-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6277493; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 z_lin_t_23_1_100-010Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.856659; Eh
thumbnail.jpeg2-Oct-2021/lin/ox3 d_lin_t_34_3_111-111Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3834427; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 z_lin_c_22_1_100-010Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8645041; Eh
Results 1-10 of 843 (Search time: 0.0 seconds).