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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2024/calcs/02_Protected_Couplers/02_R2_DADPA/01_My/04_CN _SP_S_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-755.2462289; Eh
thumbnail.jpeg2-May-2024/calcs/01_Delta_ST/03_R2_DBP/01_My/4_9_isomer _GO_S_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-692.3449239; Eh
thumbnail.jpeg2-May-2024/calcs/01_Delta_ST/03_R2_DBP/01_My/4_9_isomer _SP_S_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-692.3444401; Eh
thumbnail.jpeg2-May-2024/calcs/01_Delta_ST/03_R2_DBP/01_My/1_6_isomer _SP_S_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-692.3457987; Eh
thumbnail.jpeg2-May-2024/calcs/01_Delta_ST/03_R2_DBP/01_My/4_9_isomer _GO_T_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-692.3493282; Eh
thumbnail.jpeg2-May-2024/calcs/01_Delta_ST/03_R2_DBP/01_My/1_6_isomer _GO_T_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-692.3472509; Eh
thumbnail.jpeg2-May-2024/calcs/01_Delta_ST/03_R2_DBP/01_My/4_9_isomer _SP_T_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-692.3489216; Eh
thumbnail.jpeg2-May-2024/calcs/01_Delta_ST/01_R2_DPA/03_PDM/n_2 _SP_S_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-5291.3149563; Eh
thumbnail.jpeg2-May-2024/calcs/01_Delta_ST/01_R2_DPA/03_PDM/n_1 _SP_T_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-5137.8326211; Eh
thumbnail.jpeg2-May-2024/calcs/01_Delta_ST/01_R2_DPA/02_DPM/n_1 _SP_T_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-1462.17114; Eh
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