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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Jun-2024/Transition_states/Pt/111 2422-2414+0011Morandi, Santiagovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimizationDFT--
thumbnail.jpeg18-Jun-2024/Transition_states/Ru/0001 2422-2323Morandi, Santiagovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexImproved Dimer MethodDFT--
thumbnail.jpeg18-Jun-2024/Transition_states/Cd/0001 2111-2011Morandi, Santiagovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimizationDFT--
thumbnail.jpeg18-Jun-2024/Transition_states/Os/0001 2414-2314Morandi, Santiagovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--
thumbnail.jpeg25-Jun-2024/Intermediates/Fe/110 H2N_3Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--
thumbnail.jpeg25-Jun-2024/Intermediates/Pd/111 C2H2O_2Morandi, Santiagovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimizationDFT--
thumbnail.jpeg18-Jun-2024/Transition_states/Pt/111 2215-2101+0111Morandi, Santiagovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--
thumbnail.jpeg25-Jun-2024/Intermediates/Ag/111 C_2Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--
thumbnail.jpeg25-Jun-2024/Intermediates/Ir/111 C_1Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--
thumbnail.jpeg18-Jun-2024/Transition_states/Au/111 2512-2414Morandi, Santiagovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimizationDFT--
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