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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2022/enamine/toluene INT2c_tolueneGuo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRM062X6-31G(D)-1885.61653082; Eh
thumbnail.jpeg9-Nov-2022/enamine/toluene TS3c_tolueneGuo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRM062X6-31G(D)-1885.61574828; Eh
thumbnail.jpeg9-Nov-2022/enamine/toluene TS1c_tolueneGuo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRM062X6-31G(D)-1885.62032664; Eh
thumbnail.jpeg9-Nov-2022/enamine/toluene 3c_tolueneGuo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRM062X6-31G(D)-1885.67021277; Eh
thumbnail.jpeg9-Nov-2022/enamine/toluene 1c_tolueneGuo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRM062X6-31G(D)-1885.64141033; Eh
thumbnail.jpeg9-Nov-2022/enamine/toluene TS2c_tolueneGuo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRM062X6-31G(D)-1885.61158314; Eh
thumbnail.jpeg9-Nov-2022/enamine/toluene INT1c_tolueneGuo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRM062X6-31G(D)-1885.62266701; Eh
thumbnail.jpeg18-Aug-2020SiW11Ni-2NOLang, ZhonglingGaussian; 09; EM64L-G09RevD.01Single point StructureUPBE1PBE6-31G(D,P) LANL2DZ GEN-4398.25937192; Eh
thumbnail.jpeg8-Mar-2021syn_11_exo_sc_12_-54Merrill, AmyGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYP6-31+G(D,P)-
thumbnail.jpeg8-Mar-2021syn_11_ap_21_-54Merrill, AmyGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYP6-31+G(D,P)-
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