Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Jan-2021/W2-Substrate-Assisted-Mech/W2-4wat 4H2O+W2O8H4-pNPP-TransitionStateSanchez-Gonzalez, AngelADF; 2019Transition stateBP86TZP-10.99910219; Eh
thumbnail.jpeg13-Jan-2021/No-Catalysis-Substrate-Assisted-Mech/0_water_extra_molecules p-NphenPhos-TsSanchez-Gonzalez, AngelADF; 2018Transition stateBP86TZP-5.25262062; Eh
thumbnail.jpeg13-Jan-2021/No-Catalysis-Solvent-Assisted-Mech p-NphenPhos-Ts-SolvAs+4watSanchez-Gonzalez, AngelADF; 2019Transition stateBP86TZP-7.42127038; Eh
thumbnail.jpeg13-Jan-2021/Mo5-2pNPP-Substrate-Assisted-Mech 4wat-Mo5-2NPP-TSSanchez-Gonzalez, AngelADF; 2019Transition stateBP86TZP-18.13389168; Eh
thumbnail.jpeg13-Jan-2021/Mo2-Substrate-Assited-Mech/Mo2-3wat H2O+Mo-3w-TSSanchez-Gonzalez, AngelADF; 2018Transition stateBP86TZP-10.29047620; Eh
thumbnail.jpeg13-Jan-2021/Mo2-Substrate-Assited-Mech/Mo2-1wat H2O+Mo-1W-TSSanchez-Gonzalez, AngelADF; 2018Transition stateBP86TZP-9.20991943; Eh
thumbnail.jpeg13-Jan-2021/Mo2-Substrate-Assited-Mech/Mo2-Isomer-4wat H2O+MoIsomer-4W-TSSanchez-Gonzalez, AngelADF; 2019Transition stateBP86TZP-10.86188989; Eh
thumbnail.jpeg13-Jan-2021/W2-Substrate-Assisted-Mech/W2-1wat 1H2O+W2O8H4-pNPP-TransitionStateSanchez-Gonzalez, AngelADF; 2019Transition stateBP86TZP-9.36801405; Eh
thumbnail.jpeg13-Jan-2021/W2-Substrate-Assisted-Mech/W2-0wat W2O8H4-pNPP-TransitionStateSanchez-Gonzalez, AngelADF; 2019Transition stateBP86TZP-8.82222624; Eh
thumbnail.jpeg13-Jan-2021/W2-Substrate-Assisted-Mech/W2-3wat 3H2O+W2O8H4-pNPP-TransitionStateSanchez-Gonzalez, AngelADF; 2019Transition stateBP86TZP-10.44695948; Eh
Results 1-10 of 20 (Search time: 0.002 seconds).

Discover

Program name
Method