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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_C_aGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-1282.32618246; Eh
thumbnail.jpeg13-Feb-2023/base-driven_skeletal_rearrangements_/anion35 35_anion_B_bGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-1282.32227450; Eh
thumbnail.jpeg13-Feb-2023/base-driven_skeletal_rearrangements_/anion15 18_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.745633620; Eh
thumbnail.jpeg13-Feb-2023/base-driven_skeletal_rearrangements_/anion42 42_anion_IM_aGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-1282.32594819; Eh
thumbnail.jpeg13-Feb-2023/anion_SPh 41_anion_bGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-1282.33780172; Eh
thumbnail.jpeg13-Feb-2023/neutral_SPh 38_aGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-1282.84353766; Eh
thumbnail.jpeg13-Feb-2023/neutral_SPh 38_bGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-1282.83913082; Eh
thumbnail.jpeg13-Feb-2023/anion_SPh 41_anion_aGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-1282.33861037; Eh
thumbnail.jpeg13-Feb-2023/homoconjugation CS-12Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2TZVPP-497.311877530; Eh
thumbnail.jpeg13-Feb-2023/homoconjugation CS-1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2TZVPP-581.007930967; Eh
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