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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/02_DPM/01_NH2 _SP_T_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-1604.8931809; Eh
thumbnail.jpeg2-May-2024/calcs/02_Protected_Couplers/02_R2_DADPA/01_My/02_NMe2 _SP_S_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-838.6055394; Eh
thumbnail.jpeg2-May-2024/calcs/01_Delta_ST/03_R2_DBP/01_My/3_8_isomer _SP_S_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-692.3530847; Eh
thumbnail.jpeg2-May-2024/calcs/01_Delta_ST/03_R2_DBP/01_My/3_8_isomer _GO_S_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-692.3546778; Eh
thumbnail.jpeg2-May-2024/calcs/01_Delta_ST/03_R2_DBP/01_My/3_8_isomer _GO_T_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-692.3544835; Eh
thumbnail.jpeg2-May-2024/calcs/01_Delta_ST/03_R2_DBP/01_My/3_8_isomer _SP_T_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-692.3511187; Eh
thumbnail.jpeg2-May-2024/calcs/01_Delta_ST/03_R2_DBP/01_My/2_7_isomer _SP_T_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-692.3542524; Eh
thumbnail.jpeg2-May-2024/calcs/01_Delta_ST/01_R2_DPA/03_PDM/n_0 _SP_T_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-4984.3473186; Eh
thumbnail.jpeg2-May-2024/calcs/01_Delta_ST/01_R2_DPA/03_PDM/n_1 _SP_S_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-5137.8336517; Eh
thumbnail.jpeg2-May-2024/calcs/01_Delta_ST/01_R2_DPA/01_My/n_0 _SP_S_Santiago Piera, RaulGaussian; 09; ES64L-G09RevD.01Single point StructureUPBE1PBE6-311G(D)-385.3603224; Eh
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