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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Feb-2023/base-driven_skeletal_rearrangements_/anion35 35_anion_D_aGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-1282.31040907; Eh
thumbnail.jpeg13-Feb-2023/base-driven_skeletal_rearrangements_/anion42 41_anion_bGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-1282.33780172; Eh
thumbnail.jpeg13-Feb-2023/base-driven_skeletal_rearrangements_/anion42 42_anion_TS2_aGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBE1PBEDEF2SVP-1282.32243196; Eh
thumbnail.jpeg13-Feb-2023/base-driven_skeletal_rearrangements_/anion42 41_anion_aGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-1282.33861037; Eh
thumbnail.jpeg13-Feb-2023/base-driven_skeletal_rearrangements_/anion42 42_anion_TS1_bGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBE1PBEDEF2SVP-1282.29280591; Eh
thumbnail.jpeg13-Feb-2023/base-driven_skeletal_rearrangements_/anion42 42_anion_aGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-1282.30994719; Eh
thumbnail.jpeg13-Feb-2023/base-driven_skeletal_rearrangements_/anion42 42_anion_TS2_bGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBE1PBEDEF2SVP-1282.32118803; Eh
thumbnail.jpeg13-Feb-2023/base-driven_skeletal_rearrangements_/anion9 9_anion_TS4Guo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRPBE1PBEDEF2SVP-653.704731211; Eh
thumbnail.jpeg13-Feb-2023/homoconjugation CS-12Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2TZVPP-497.311877530; Eh
thumbnail.jpeg13-Feb-2023/homoconjugation CS-23Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2TZVPP-498.535516551; Eh
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