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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2022/enamine/DCM TS2c_concerted_DCMGuo, WentaoGaussian; 16; ES64L-G16RevC.01Single point MinimumRM062X6-31G(D)-1885.60307781; Eh
thumbnail.jpeg9-Nov-2022/enamine/DCM INT1c_DCMGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-31G(D)-1885.62949465; 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.jpeg9-Nov-2022/model TSAGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X6-31G(D)-1218.69354335; Eh
thumbnail.jpeg9-Nov-2022/enamine/DCM 3c_DCMGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-31G(D)-1885.67551994; Eh
thumbnail.jpeg9-Nov-2022/enamine/DCM INT2c_DCMGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-31G(D)-1885.62573187; Eh
thumbnail.jpeg9-Nov-2022/enamine/DCM TS2c_DCMGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X6-31G(D)-1885.61798141; Eh
thumbnail.jpeg1-Jul-2022/Complexes 2d-2Ortuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X6-31G** 6-31+G* GEN-1619.95176955; Eh
thumbnail.jpeg20-Jan-2021AcantholactamSemenov, ValentinGaussian; 09; IA32W-G09RevA.02Geometry optimization MinimumRM062XCC-PVTZ AUG-CC-PVTZ GEN-1916.99166231; Eh
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