Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_34_2_110-110Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4273165; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 d_cyc_12_43_2_x01-111Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4064961; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 d_cyc_34_67_2_111-10xBlancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3838233; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_23_43_2_101-011Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4120134; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_45_2_011-1x1Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4116361; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 z_cyc_23_43_2_111-010Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3902828; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 d_cyc_23_43_2_100-111Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3960972; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_54_2_101-1x1Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.400984; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_43_2_011-011Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4616408; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_12_17_2_x11-x11Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3524575; Eh
Results 741-750 of 780 (Search time: 0.001 seconds).