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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_000-101Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6400698; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_23_43_1_100-100Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6408833; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_34_2_110-101Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.428963; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_34_34_1_100-100Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.7079948; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 z_cyc_17_34_1_x10-100Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6644864; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 s_cyc_34_54_1_000-1x1Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6479177; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_54_2_011-1x1Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3984009; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 z_cyc_23_34_2_010-111Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3938248; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_34_76_1_100-10xBlancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6396306; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 s_cyc_23_43_1_000-011Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6601813; Eh
Results 771-780 of 780 (Search time: 0.001 seconds).