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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_bGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-1282.32334256; Eh
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 41_anion_aGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-1282.33861037; 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/homoconjugation CS-18Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2TZVPP-499.065280105; Eh
thumbnail.jpeg13-Feb-2023/homoconjugation CS-20Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2TZVPP-497.306929569; Eh
thumbnail.jpeg13-Feb-2023/homoconjugation CS-31Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2TZVPP-423.855461600; Eh
thumbnail.jpeg13-Feb-2023/homoconjugation CS-8Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2TZVPP-461.388398107; Eh
thumbnail.jpeg13-Feb-2023/homoconjugation CS-30Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2TZVPP-423.308063419; Eh
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