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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required27-Sep-2021SCO_M06L_S2_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUM06LDEF2TZVP-4399.59381990; Eh
Login required27-Sep-2021SCO_M06L_S6_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUM06LDEF2TZVP-3113.88911759; Eh
Login required27-Sep-2021SCO_M06L_S6_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUM06LDEF2TZVP-3113.87696917; Eh
Login required27-Sep-2021SCO_M06L_S5_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUM06LDEF2TZVP-2708.78406746; Eh
Login required27-Sep-2021SCO_M06L_S4_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUM06LDEF2TZVP-2718.88790799; Eh
Login required27-Sep-2021SCO_M06L_S16_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUM06LDEF2TZVP-2642.25259516; Eh
Login required27-Sep-2021SCO_M06L_S16_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUM06LDEF2TZVP-2642.24802615; Eh
Login required27-Sep-2021SCO_M06L_S18_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUM06LDEF2TZVP-2832.03188724; Eh
Login required13-Jun-2022/Reaction_mechanism/Other Transition_state_TS9Ortuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumUM06LDEF2TZVP DEF2SVP GEN-3136.50842257; Eh
Login required13-Jun-2022/Reaction_mechanism Intermediate_5Ortuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumUM06LDEF2TZVP DEF2SVP GEN-3136.52827057; Eh
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