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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required1-Jul-2022/Ligands 1dOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumRM062X6-31G** 6-31+G* GEN-915.855778020; Eh
Login required1-Jul-2022/Ligands 1aOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumRM062X6-31G** 6-31+G* GEN-1084.25975238; Eh
Login required1-Jul-2022/Ligands 1cOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumRM062X6-31G** 6-31+G* GEN-1068.22440146; Eh
Login required1-Jul-2022THFOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumRM062X6-31G** 6-31+G* GEN-232.354615349; Eh
Login required19-Sep-2022/Common_Structures Br_anionWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Single point MinimumRM062XDEF2SVP-2574.02294397; Eh
Login required19-Sep-2022/Common_Structures I_anionWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Single point MinimumRM062XDEF2SVP-297.796077603; Eh
thumbnail.jpeg9-Nov-2022/enamine/DCM TS2c_concerted_DCMGuo, WentaoGaussian; 16; ES64L-G16RevC.01Single point MinimumRM062X6-31G(D)-1885.60307781; Eh
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