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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required27-Sep-2021SCO_M06L_S18_HS_OLDVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUM06LDEF2TZVP-2832.00311980; Eh
Login required27-Sep-2021SCO_M06L_S18_LS_OLDVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUM06LDEF2TZVP-2831.98642819; Eh
Login required27-Sep-2021SCO_M06L_S18_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUM06LDEF2TZVP-2832.02660839; Eh
Login required27-Sep-2021SCO_M06L_S18_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUM06LDEF2TZVP-2832.03188724; Eh
Login required27-Sep-2021SCO_M06L_S17_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUM06LDEF2TZVP-2444.38334600; Eh
Login required13-Jun-2022/Reaction_mechanism/Other Transition_state_TS8Ortuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point StructureUM06LDEF2TZVP DEF2SVP GEN-3136.52244484; 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 Transition_state_TS4Ortuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point StructureUM06LDEF2TZVP DEF2SVP GEN-3136.52580957; Eh
Login required13-Jun-2022/Reaction_mechanism Transition_state_TS5Ortuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point StructureUM06LDEF2TZVP DEF2SVP GEN-3136.52593424; 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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