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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/No-Catalysis-Solvent-Assisted-Mech p-NphenPhos-Ts-SolvAs+4watSanchez-Gonzalez, AngelADF; 2019BP86TZP-7.42127038; Eh
thumbnail.jpeg/No-Catalysis-Substrate-Assisted-Mech/0_water_extra_molecules p-NphenPhos-TsSanchez-Gonzalez, AngelADF; 2018BP86TZP-5.25262062; Eh
thumbnail.jpeg/No-Catalysis-Substrate-Assisted-Mech/4_water_extra_molecules p-NphenPhos-TS+4watSanchez-Gonzalez, AngelADF; 2019BP86TZP-7.40709884; Eh
thumbnail.jpeg/Mo5-2pNPP-Substrate-Assisted-Mech FFM_NPPhydr_Mo5_TS1Sanchez-Gonzalez, AngelADF; 2018BP86TZP-15.97485162; Eh
thumbnail.jpeg/Mo5-2pNPP-Substrate-Assisted-Mech 4wat-Mo5-2NPP-TSSanchez-Gonzalez, AngelADF; 2019BP86TZP-18.13389168; Eh
thumbnail.jpeg/Mo2-Substrate-Assited-Mech/Mo2-0wat H20+Mo-0W-TSSanchez-Gonzalez, AngelADF; 2018BP86TZP-8.66496900; Eh
thumbnail.jpeg/Mo2-Substrate-Assited-Mech/Mo2-1wat H2O+Mo-1W-TSSanchez-Gonzalez, AngelADF; 2018BP86TZP-9.20991943; Eh
thumbnail.jpeg/Mo2-Substrate-Assited-Mech/Mo2-2wat H20+Mo-2w-TSSanchez-Gonzalez, AngelADF; 2018BP86TZP-9.74952289; Eh
thumbnail.jpeg/Mo2-Substrate-Assited-Mech/Mo2-3wat H2O+Mo-3w-TSSanchez-Gonzalez, AngelADF; 2018BP86TZP-10.29047620; Eh
thumbnail.jpeg/Mo2-Substrate-Assited-Mech/Mo2-4wat H2O+Mo-4W-TSSanchez-Gonzalez, AngelADF; 2018BP86TZP-10.83984092; Eh
thumbnail.jpeg/Mo2-Substrate-Assited-Mech/Mo2-Isomer-4wat H2O+MoIsomer-4W-TSSanchez-Gonzalez, AngelADF; 2019BP86TZP-10.86188989; Eh
thumbnail.jpeg/W5-Substrate-Assisted-Mech W5O23-2NPP-TS-H2OSanchez-Gonzalez, AngelADF; 2018BP86TZP-16.32682104; Eh
thumbnail.jpeg/W5-Substrate-Assisted-Mech W5O23-2NPP-H2O-IntSanchez-Gonzalez, AngelADF; 2018BP86TZP-16.34180038; Eh
thumbnail.jpeg/W5-Substrate-Assisted-Mech W2O15-2NPP-H20-4wat-TSSanchez-Gonzalez, AngelADF; 2019BP86TZP-18.48646305; Eh
thumbnail.jpeg/W2-Substrate-Assisted-Mech/W2-0wat W2O8H4-pNPP-TransitionStateSanchez-Gonzalez, AngelADF; 2019BP86TZP-8.82222624; Eh
thumbnail.jpeg/W2-Substrate-Assisted-Mech/W2-1wat 1H2O+W2O8H4-pNPP-TransitionStateSanchez-Gonzalez, AngelADF; 2019BP86TZP-9.36801405; Eh
thumbnail.jpeg/W2-Substrate-Assisted-Mech/W2-2wat 2H2O+W2O8H4-pNPP-TransitionStateSanchez-Gonzalez, AngelADF; 2019BP86TZP-9.90657071; Eh
thumbnail.jpeg/W2-Substrate-Assisted-Mech/W2-3wat 3H2O+W2O8H4-pNPP-TransitionStateSanchez-Gonzalez, AngelADF; 2019BP86TZP-10.44695948; Eh
thumbnail.jpeg/W2-Substrate-Assisted-Mech/W2-4wat 4H2O+W2O8H4-pNPP-TransitionStateSanchez-Gonzalez, AngelADF; 2019BP86TZP-10.99910219; Eh
thumbnail.jpeg/W2-Substrate-Assisted-Mech/W2-Isomer-4wat H2O-W2Isomer-4Wat-TSSanchez-Gonzalez, AngelADF; 2019BP86TZP-11.01442209; Eh
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