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Browsing by Author Jacobs, Jake

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Showing results 1 to 20 of 158  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Oct-2023alpha-_AsW12O40__3-_B3LYP_no_TZP_noJacobs, JakeAMS; 2021.106; r99350Geometry optimizationB3LYP--540.569211; eV
thumbnail.jpeg30-Oct-2023alpha-_AsW12O40__3-_BP86_Acetonitrile_TZP_noJacobs, JakeAMS; 2021.106; r99350Geometry optimizationBP86--447.241119; eV
thumbnail.jpeg30-Oct-2023alpha-_AsW12O40__3-_BP86_no_TZP_noJacobs, JakeAMS; 2021.106; r99350Geometry optimizationBP86--437.104252; eV
thumbnail.jpeg30-Oct-2023alpha-_AsW12O40__3-_BP86_Water_TZP_noJacobs, JakeAMS; 2021.106; r99350Geometry optimizationBP86--447.498986; eV
thumbnail.jpeg30-Oct-2023alpha-_AsW12O40__3-_PBE0_no_TZP_noJacobs, JakeAMS; 2021.106; r99350Geometry optimizationPBE0 == Not Default ==--585.421482; eV
thumbnail.jpeg30-Oct-2023alpha-_GeW12O40__4-_B3LYP_no_TZP_noJacobs, JakeAMS; 2021.106; r99350Geometry optimizationB3LYP--538.751055; eV
thumbnail.jpeg30-Oct-2023alpha-_GeW12O40__4-_BP86_Acetonitrile_TZP_noJacobs, JakeAMS; 2021.106; r99350Geometry optimizationBP86--453.382480; eV
thumbnail.jpeg30-Oct-2023alpha-_GeW12O40__4-_BP86_no_TZP_noJacobs, JakeAMS; 2021.106; r99350Geometry optimizationBP86--435.285193; eV
thumbnail.jpeg30-Oct-2023alpha-_GeW12O40__4-_BP86_Water_TZP_noJacobs, JakeAMS; 2021.106; r99350Geometry optimizationBP86--453.745908; eV
thumbnail.jpeg30-Oct-2023alpha-_GeW12O40__4-_PBE0_no_TZP_noJacobs, JakeAMS; 2021.106; r99350Geometry optimizationPBE0 == Not Default ==--583.536718; eV
thumbnail.jpeg30-Oct-2023alpha-_PW12O40__3-_B3LYP_no_TZP_noJacobs, JakeAMS; 2021.106; r99350Geometry optimizationB3LYP--545.758151; eV
thumbnail.jpeg30-Oct-2023alpha-_PW12O40__3-_BP86_Acetonitrile_TZP_LiJacobs, JakeAMS; 2021.106; r99350Geometry optimizationBP86--450.911162; eV
thumbnail.jpeg30-Oct-2023alpha-_PW12O40__3-_BP86_Acetonitrile_TZP_noJacobs, JakeAMS; 2021.106; r99350Geometry optimizationBP86--453.857699; eV
thumbnail.jpeg30-Oct-2023alpha-_PW12O40__3-_BP86_Acetonitrile_TZP_TBAJacobs, JakeAMS; 2021.106; r99350Geometry optimizationBP86--1286.284800; eV
thumbnail.jpeg30-Oct-2023alpha-_PW12O40__3-_BP86_Acetonitrile_TZP_TMAJacobs, JakeAMS; 2021.106; r99350Geometry optimizationBP86--703.362235; eV
thumbnail.jpeg30-Oct-2023alpha-_PW12O40__3-_BP86_no_TZP_LiJacobs, JakeAMS; 2021.106; r99350Geometry optimizationBP86--449.716042; eV
thumbnail.jpeg30-Oct-2023alpha-_PW12O40__3-_BP86_no_TZP_noJacobs, JakeAMS; 2021.106; r99350Geometry optimizationBP86--443.754286; eV
thumbnail.jpeg30-Oct-2023alpha-_PW12O40__3-_BP86_no_TZP_TBAJacobs, JakeAMS; 2021.106; r99350Geometry optimizationBP86--1283.979494; eV
thumbnail.jpeg30-Oct-2023alpha-_PW12O40__3-_BP86_no_TZP_TMAJacobs, JakeAMS; 2021.106; r99350Geometry optimizationBP86--700.212139; eV
thumbnail.jpeg30-Oct-2023alpha-_PW12O40__3-_BP86_Water_TZP_LiJacobs, JakeAMS; 2021.106; r99350Geometry optimizationBP86--451.170047; eV
Showing results 1 to 20 of 158  next >