1. Institute of Chemical Research of Catalonia

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jul-2020Mo2O7_0H_B3LYPPetrus, EnricADF; 2019FrequenciesB3LYPTZP-
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-riGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---760.07014948; 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-maGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---783.27964980; eV
thumbnail.jpeg21-Oct-2016Pd-soGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---690.16798437; 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-voGarcía Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---806.55543351; eV
thumbnail.jpeg29-Feb-2016Scan-a-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-1997.93947547; Eh
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