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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Feb-2018Pd_TS-3Cto4CProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexImproved Dimer Method---626.20438050; eV
Login required22-Feb-2018Pd_TS-2Hto3HProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexImproved Dimer Method---625.67787695; eV
Login required22-Feb-2018Pd_TS-1to2HProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexImproved Dimer Method---625.23146634; eV
Login required22-Feb-2018Pd_TS-1to2CProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexImproved Dimer Method---624.77633261; eV
Login required6-Nov-2023/ag_metal_electrode/transition_state/at_C/one_water one_waterCiotti, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complexImproved Dimer MethodDFT--212.04861262; eV
Login required20-Feb-2024NH_cleavageBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 16 2019 13:19:51) gamma-onlyImproved Dimer MethodDFT--792.48794068; eV
Login required20-Feb-2024NH_cleavageBrennan, Kevinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 16 2019 13:19:51) gamma-onlyImproved Dimer MethodDFT--790.85473423; eV
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