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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2022TS1_prime_SGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBE1PBEDEF2SVP-3360.93918104; Eh
thumbnail.jpeg9-Nov-2022TS2_SGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBE1PBEDEF2SVP-3360.92384666; Eh
thumbnail.jpeg9-Nov-2022TS3Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBE1PBEDEF2SVP-1666.16826046; Eh
thumbnail.jpeg9-Nov-2022TS1_SGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBE1PBEDEF2SVP-3360.94317637; Eh
thumbnail.jpeg22-Aug-2022/Me/singlet TS1_singletGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBE1PBEDEF2SVP-2781.76803194; Eh
thumbnail.jpeg22-Aug-2022/Me/singlet TS3_singletGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBE1PBEDEF2SVP-2761.64941113; Eh
thumbnail.jpeg22-Aug-2022/Me/singlet TS6_singletGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBE1PBEDEF2SVP-2761.71045633; Eh
thumbnail.jpeg22-Aug-2022/Me/singlet TS2_singletGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBE1PBEDEF2SVP-2553.04178719; Eh
thumbnail.jpeg13-Feb-2023/base-driven_skeletal_rearrangements_/anion35 35_anion_TS3_aGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBE1PBEDEF2SVP-1282.30760636; Eh
thumbnail.jpeg13-Feb-2023/base-driven_skeletal_rearrangements_/anion10 10_anion_TS1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBE1PBEDEF2SVP-1526.71017826; Eh
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