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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-May-2017Pt-CS-TS-H3COH-H2COH_(solvated)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complexGeometry optimization---313.36027689; eV
thumbnail.jpeg10-May-2017Pt-CS-TS-H3COH-H2COH_(vacuum)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---312.79938135; eV
thumbnail.jpeg10-May-2017Pt-CS-TS-H3COH-H3CO_(solvated)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complexGeometry optimization---313.21345805; eV
thumbnail.jpeg10-May-2017Pt-CS-TS-H3COH-H3CO_(vacuum)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---312.71502873; eV
thumbnail.jpeg21-Oct-2016Pt-e1García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---330.27159993; eV
thumbnail.jpeg21-Oct-2016Pt-e3García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---336.83320631; eV
thumbnail.jpeg21-Oct-2016Pt-erGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---383.36192909; eV
thumbnail.jpeg21-Oct-2016Pt-fuGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---777.15325298; eV
thumbnail.jpeg21-Oct-2016Pt-gaGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---783.49689850; eV
thumbnail.jpeg21-Oct-2016Pt-idGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---783.38503191; eV
thumbnail.jpeg21-Oct-2016Pt-m1García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---313.47465598; eV
thumbnail.jpeg21-Oct-2016Pt-maGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---783.27964980; eV
thumbnail.jpeg21-Oct-2016Pt-p1García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---346.90721445; eV
thumbnail.jpeg21-Oct-2016Pt-p2García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---347.02866263; eV
thumbnail.jpeg21-Oct-2016Pt-p3García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---353.64619335; eV
thumbnail.jpeg21-Oct-2016Pt-p4García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---353.66763413; eV
thumbnail.jpeg21-Oct-2016Pt-p6García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---360.15692148; eV
thumbnail.jpeg21-Oct-2016Pt-riGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---760.07014948; eV
thumbnail.jpeg10-May-2017Pt-S2W-H2CO_(solvated)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complexGeometry optimization---343.85463986; eV
thumbnail.jpeg10-May-2017Pt-S2W-H2CO_(vacuum)Garcia-Ratés, Miquelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---342.87238002; eV