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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Aug-2020TS9aDeng, ChaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM066-31G** 6-31G* LANL2DZ GEN-1469.63836448; Eh
thumbnail.jpeg9-Nov-2022/model TS2Guo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X6-31G(D)-1218.70420486; Eh
thumbnail.jpeg26-Aug-2020TS2aDeng, ChaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM066-31G** 6-31G* LANL2DZ GEN-1469.65139115; Eh
thumbnail.jpeg9-Nov-2022/enamine/DCM TS3c_DCMGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X6-31G(D)-1885.62267401; Eh
thumbnail.jpeg9-Nov-2022/enamine/DCM TS1c_DCMGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X6-31G(D)-1885.62686009; Eh
thumbnail.jpeg18-Aug-2020SiW11Ni-TS1-PCMLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUPBE1PBE6-31G(D,P) LANL2DZ GEN-4269.08859174; Eh
thumbnail.jpeg9-Nov-2022/model INT1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X6-31G(D)-1218.70420486; Eh
thumbnail.jpeg9-Nov-2022/H TS1bGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X6-31G(D)-1674.31084116; Eh
thumbnail.jpeg9-Nov-2022/H TS2bGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X6-31G(D)-1674.29807767; Eh
thumbnail.jpeg9-Nov-2022/enamine/DCM TS2c_DCMGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X6-31G(D)-1885.61798141; Eh
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