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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_c_77_1_001-001Blancafort, LluísGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.88021; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_c_77_1_100-001Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8825644; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_c_77_1_100-100Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.796596; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_t_22_1_001-001Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.9110322; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_t_22_1_100-001Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8913724; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_t_22_1_100-100Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8641183; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_t_23_1_001-100Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.9072747; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_t_23_1_100-100Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8807171; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_t_24_1_001-010Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.9025771; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_t_24_1_001-100Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8731945; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_t_24_1_100-010Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8754926; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_t_24_1_100-100Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8448266; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_t_27_1_001-001Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.9045545; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_t_27_1_001-100Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8773231; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_t_27_1_100-001Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8855023; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_t_27_1_100-100Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8327682; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_t_33_1_100-100Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8927804; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_t_34_1_100-010Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8857236; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_t_34_1_100-100Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8533975; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_t_37_1_100-001Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8885447; Eh