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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required6-Mar-2026aldol_neutral_initial_TS302_0Matsutani, SatoshiGRRM; 23SaddlewB97XDdef2svpp-739.265031401354; Eh--
Login required6-Mar-2026aldol_neutral_initial_TS303_0Matsutani, SatoshiGRRM; 23SaddlewB97XDdef2svpp-739.263656443900; Eh--
thumbnail.jpeg6-Mar-2026/fluronapthalene/sp/5F_isomer_60 5F_isomer_60Charapale, OmkarGaussian; 16; ES64L-G16RevC.02Single point StructureRMN15CBSB3** 6-311G(2DF,2P)-881.5041597; Eh
thumbnail.jpeg6-Mar-2026/fluronapthalene/sp/6F_isomer_65 6F_isomer_65Charapale, OmkarGaussian; 16; ES64L-G16RevC.02Single point StructureRMN15CBSB3** 6-311G(2DF,2P)-980.6988987; Eh
thumbnail.jpeg6-Mar-2026/fluronapthalene/sp/5F_isomer_58 5F_isomer_58Charapale, OmkarGaussian; 16; ES64L-G16RevC.02Single point StructureRMN15CBSB3** 6-311G(2DF,2P)-881.5103892; Eh
thumbnail.jpeg6-Mar-2026/fluronapthalene/sp/6F_isomer_64 6F_isomer_64Charapale, OmkarGaussian; 16; ES64L-G16RevC.02Single point StructureRMN15CBSB3** 6-311G(2DF,2P)-980.6941232; Eh
thumbnail.jpeg6-Mar-2026/fluronapthalene/sp/5F_isomer_59 5F_isomer_59Charapale, OmkarGaussian; 16; ES64L-G16RevC.02Single point StructureRMN15CBSB3** 6-311G(2DF,2P)-881.5098365; Eh
thumbnail.jpeg6-Mar-2026/fluronapthalene/sp/5F_isomer_61 5F_isomer_61Charapale, OmkarGaussian; 16; ES64L-G16RevC.02Single point StructureRMN15CBSB3** 6-311G(2DF,2P)-881.5106801; Eh
Login required6-Mar-2026aldol_neutral_second_TS36Matsutani, SatoshiGRRM; 23SaddlewB97XDdef2svpp-739.266959024730; Eh--
Login required6-Mar-2026aldol_neutral_second_TS37Matsutani, SatoshiGRRM; 23SaddlewB97XDdef2svpp-739.265504387196; Eh--
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