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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-May-2017Pt-S2W-TS-H3CO-H2CO_(solvated)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complexGeometry optimization---343.16537315; eV
thumbnail.jpeg10-May-2017Pt-S2W-TS-H3COH-H3CO_(solvated)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complexGeometry optimization---343.23327223; eV
thumbnail.jpeg10-May-2017Pt-S2W-TS-H3CO-H2CO_(vacuum)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexImproved Dimer Method---342.28046760; eV
thumbnail.jpeg10-May-2017Pt-S5WR-H2CO_(solvated)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complexGeometry optimization---743.66006330; eV
thumbnail.jpeg10-May-2017Pd-CS-H2CO_(vacuum)Garcia-Ratés, Miquelvasp; 5.3.5; 31Mar14 (build May 13 2015 15:04:06) complexGeometry optimization---264.25098250; eV
thumbnail.jpeg10-May-2017Pd-CS-H2CO_(solvated)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complexGeometry optimization---264.53337735; eV
thumbnail.jpeg10-May-2017Pt-S2W-TS-H2COH-H2CO_(vacuum)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexImproved Dimer Method---342.51032491; eV
thumbnail.jpeg10-May-2017Pt-S2W-TS-H2COH-H2CO_(solvated)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complexGeometry optimization---343.40462327; eV
thumbnail.jpeg10-May-2017Pd-CS-TS-H3COH-H3CO_(solvated)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complexGeometry optimization---271.42247362; eV
thumbnail.jpeg10-May-2017Ru-CS-H2CO_(solvated)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complexGeometry optimization---447.06584777; eV
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