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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Jan-2024TS-2Laconsay, CroixGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUPBE1PBEDEF2SVP-4391.04724772; Eh
thumbnail.jpeg16-Jan-2024TS-4Laconsay, CroixGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUPBE1PBEDEF2SVP-4391.06038698; Eh
thumbnail.jpeg16-Jan-2024TS-1Laconsay, CroixGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUPBE1PBEDEF2SVP-4391.04497809; Eh
thumbnail.jpeg8-Sep-2023absty-ts3Cambeiro, XacobeGaussian; 16; ES64L-G16RevB.01Geometry optimization TSUPBE1PBE6-31+G(D,P)-547.407545772; Eh
thumbnail.jpeg8-Sep-2023absty-ts1Cambeiro, XacobeGaussian; 16; ES64L-G16RevB.01Geometry optimization TSUPBE1PBE6-31+G(D,P)-547.407411741; Eh
thumbnail.jpeg8-Sep-2023absty-ts2Cambeiro, XacobeGaussian; 16; ES64L-G16RevB.01Geometry optimization TSUPBE1PBE6-31+G(D,P)-547.407403305; Eh
thumbnail.jpeg28-Mar-2024/benchmark TS1_pbe0Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUPBE1PBE6-31G(D,P)-771.893751218; Eh
thumbnail.jpeg22-Apr-2024/protonated TS2B_T_protonatedGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUPBE1PBEDEF2SVP-3361.39988732; Eh
thumbnail.jpeg22-Apr-2024/protonated TS2A_T_protonatedGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUPBE1PBEDEF2SVP-3361.39051299; Eh
Results 41-49 of 49 (Search time: 0.002 seconds).