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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Mar-2021syn_11_ap_8_-54Merrill, AmyGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYP6-31+G(D,P)-
thumbnail.jpeg8-Mar-2021syn_11_ap_21_-54Merrill, AmyGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYP6-31+G(D,P)-
thumbnail.jpeg8-Mar-2021syn_11_exo_sc_11_-54Merrill, AmyGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYP6-31+G(D,P)-
thumbnail.jpeg8-Mar-2021syn_11_ap_7_-54Merrill, AmyGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYP6-31+G(D,P)-
thumbnail.jpeg8-Mar-2021syn_11_ap_conf_1_-54Merrill, AmyGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYP6-31+G(D,P)-
thumbnail.jpeg8-Mar-2021syn_11_exo_sc_12_-54Merrill, AmyGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYP6-31+G(D,P)-
thumbnail.jpeg8-Mar-2021syn_11_ap_conf_5_-54Merrill, AmyGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYP6-31+G(D,P)-
thumbnail.jpeg9-Mar-2021iminium_ion_syn_11_conf_1Merrill, AmyGaussian; 16; AS64L-G16RevC.01Single point StructureRB3LYP6-31+G(D,P)-
Login required21-Dec-2021myclobutanil_CONF63_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1261.3453092; Eh
Login required21-Dec-2021myclobutanil_CONF6_gasPla Terrada, PaulaGaussian; 16; EM64L-G16RevC.01Geometry optimization MinimumRB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-1261.3486583; Eh
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