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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Aug-2022/Me/singlet IM8_singletGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-2761.72040061; Eh
thumbnail.jpeg22-Aug-2022/Me/singlet IM2_singletGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-2553.06535222; Eh
thumbnail.jpeg22-Aug-2022/Me/singlet IM9_singletGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-2324.42271724; 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.jpeg22-Aug-2022/Me/singlet MaleimideGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-437.274002225; Eh
thumbnail.jpeg22-Aug-2022/Me/singlet substrateGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-553.738799773; Eh
thumbnail.jpeg22-Aug-2022/Me/singlet productGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-553.821594303; Eh
thumbnail.jpeg22-Aug-2022/Me/singlet AcOHGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-228.675849164; Eh
thumbnail.jpeg22-Aug-2022/COOEt/singlet minorproduct_COOEt_singletGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUPBE1PBEDEF2SVP-1218.61658440; Eh
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