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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Jul-2015Adsorption_of_ClC6H4NH2_on_LindlarAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---527.62904970; eV
thumbnail.jpeg14-Jul-2015Adsorption_of_ClC6H4NH2_on_Pt(111)Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---532.51116317; eV
thumbnail.jpeg14-Jul-2015Adsorption_of_ClC6H4NH2_on_c-PtAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---1724.16014645; eV
thumbnail.jpeg14-Jul-2015Adsorption_of_ClC6H4NO2_on_LindlarAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---530.38511769; eV
thumbnail.jpeg14-Jul-2015Adsorption_of_ClC6H4NO2_on_c-PtAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---1725.31315030; eV
thumbnail.jpeg14-Jul-2015Adsorption_of_ClC6H4NO2_on_Pt(111)Almora, Neyvisvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---534.52984167; eV
thumbnail.jpeg14-Jul-2015P5Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-236.907504965; Eh
thumbnail.jpeg14-Jul-2015P0Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-40.4888420984; Eh
thumbnail.jpeg14-Jul-2015P8Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-197.624728811; Eh
thumbnail.jpeg14-Jul-2015P4Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-197.623041714; Eh
thumbnail.jpeg14-Jul-2015P1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-79.7699232147; Eh
thumbnail.jpeg14-Jul-2015P7Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-236.910069934; Eh
thumbnail.jpeg14-Jul-2015P2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-119.054144216; Eh
thumbnail.jpeg14-Jul-2015P3Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-158.338597487; Eh
thumbnail.jpeg14-Jul-2015P6Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-158.340627138; Eh
thumbnail.jpeg14-Jul-2015radicalP2_2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*-118.364183135; Eh
thumbnail.jpeg14-Jul-2015radicalP6_1Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*-157.656817652; Eh
thumbnail.jpeg14-Jul-2015radicalP2_1Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*-118.371394364; Eh
thumbnail.jpeg14-Jul-2015radicalP5_2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*-236.224460229; Eh
thumbnail.jpeg14-Jul-2015radicalP5_1Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-31g*-236.225112580; Eh