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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Jan-2021/W2-Substrate-Assisted-Mech/W2-0wat W2O8H4-pNPP-productsSanchez-Gonzalez, AngelADF; 2019Geometry optimizationBP86TZP-8.83897224; Eh
thumbnail.jpeg13-Jan-2021/W5-Substrate-Assisted-Mech W5O23-2NPP-H2O-ReactantsSanchez-Gonzalez, AngelADF; 2019Geometry optimizationBP86TZP-16.39429218; Eh
thumbnail.jpeg13-Jan-2021/W2-Substrate-Assisted-Mech/W2-1wat 1H20+W2O8H4-pNPP-ReactSanchez-Gonzalez, AngelADF; 2019Geometry optimizationBP86TZP-9.40113746; Eh
thumbnail.jpeg13-Jan-2021/W5-Substrate-Assisted-Mech W2O15-2NPP-H2O-4wat-ProductSanchez-Gonzalez, AngelADF; 2019Geometry optimizationBP86TZP-18.55943094; Eh
thumbnail.jpeg13-Jan-2021/W2-Substrate-Assisted-Mech/W2-0wat W2O8H4-pNPP-ReactantsSanchez-Gonzalez, AngelADF; 2019Geometry optimizationBP86TZP-8.86358257; Eh
thumbnail.jpeg13-Jan-2021/W2-Substrate-Assisted-Mech/W2-2wat 2H2O+W2O8H4-pNPP-ReactantsSanchez-Gonzalez, AngelADF; 2019Geometry optimizationBP86TZP-9.93657870; Eh
thumbnail.jpeg13-Jan-2021/W2-Substrate-Assisted-Mech/W2-4wat 4H2O+W2O8H4-pNPP-ReactantsSanchez-Gonzalez, AngelADF; 2019Geometry optimizationBP86TZP-11.02146800; Eh
thumbnail.jpeg13-Jan-2021/W2-Substrate-Assisted-Mech/W2-4wat 4H2O+W2O8H4-pNPP-ProductsSanchez-Gonzalez, AngelADF; 2019Geometry optimizationBP86TZP-11.02800406; Eh
thumbnail.jpeg13-Jan-2021/W2-Substrate-Assisted-Mech/W2-Isomer-4wat H20+W2Isomer-4Wat_reactantsSanchez-Gonzalez, AngelADF; 2019Geometry optimizationBP86TZP-11.03531758; Eh
thumbnail.jpeg13-Jan-2021/POMs Mo2O8H4-ISOMERSanchez-Gonzalez, AngelADF; 2019Geometry optimizationBP86TZP-3.37083890; Eh
Results 41-50 of 60 (Search time: 0.002 seconds).