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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required6-Mar-2026aldol_neutral_initial_TS22_0Matsutani, SatoshiGRRM; 23SaddlewB97XDdef2svpp-739.266321588814; Eh--
Login required6-Mar-2026aldol_neutral_initial_TS24_0Matsutani, SatoshiGRRM; 23SaddlewB97XDdef2svpp-739.264132834783; Eh--
Login required6-Mar-2026aldol_neutral_initial_TS25_0Matsutani, SatoshiGRRM; 23SaddlewB97XDdef2svpp-739.264133514296; Eh--
Login required6-Mar-2026aldol_neutral_initial_TS32_0Matsutani, SatoshiGRRM; 23SaddlewB97XDdef2svpp-739.262056803138; Eh--
thumbnail.jpeg6-Mar-2026/fluronapthalene/anion/Cl6F_isomer_65_1 Cl6F_isomer_65_1Charapale, OmkarGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRHFCBSB1 STO-3G-1440.27400194; Eh
thumbnail.jpeg6-Mar-2026/fluronapthalene/anion/Cl5F_isomer_58_0 Cl5F_isomer_58_0Charapale, OmkarGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRHFCBSB1 STO-3G-1341.13654542; Eh
thumbnail.jpeg6-Mar-2026/fluronapthalene/anion/Cl4F_isomer_40_1 Cl4F_isomer_40_1Charapale, OmkarGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRHFCBSB1 STO-3G-1241.99784765; Eh
thumbnail.jpeg6-Mar-2026/fluronapthalene/anion/Cl4F_isomer_40_0 Cl4F_isomer_40_0Charapale, OmkarGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRHFCBSB1 STO-3G-1241.99262996; Eh
thumbnail.jpeg6-Mar-2026/fluronapthalene/anion/Cl4F_isomer_47_0 Cl4F_isomer_47_0Charapale, OmkarGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRHFCBSB1 STO-3G-1241.99691106; Eh
thumbnail.jpeg6-Mar-2026/fluronapthalene/anion/Cl5F_isomer_62_1 Cl5F_isomer_62_1Charapale, OmkarGaussian; 16; ES64L-G16RevC.02Single point Minimum-CBSB1-1341.13727270; Eh
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