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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
Login required13-Jun-2022/Reaction_mechanism Intermediate_4Ortuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point StructureUM06LDEF2TZVP DEF2SVP GEN-3136.55996072; Eh
Login required13-Jun-2022/Reaction_mechanism/Other Transition_state_TS4aOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point StructureUM06LDEF2TZVP DEF2SVP GEN-3136.52415758; Eh
Login required13-Jun-2022/Electronic_structure COF-Co_quartet_M06-LOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point StructureUM06LDEF2TZVP DEF2SVP GEN-2528.59002137; Eh
Login required13-Jun-2022/Electronic_structure COF-Co_doublet_M06-LOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumUM06LDEF2TZVP DEF2SVP GEN-2528.58873168; Eh
Login required13-Jun-2022/Reaction_mechanism Transition_state_TS6Ortuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumUM06LDEF2TZVP DEF2SVP GEN-3136.53087938; Eh
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