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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required20-Jul-2022/DFT/R1=OEt/L2=NCBH3/R2=OH LS_para_OH_substitutedNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP GEN-2784.42928563; Eh
Login required20-Jul-2022/DFT/R1=OEt/L2=NCSe/R2=Me LS_para_Me_substitutedNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-9801.14591919; Eh
Login required20-Jul-2022/DFT/R1=OBu/L2=NCS LS_no_substitutedNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-3752.00880827; Eh
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