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Showing results 110758 to 110777 of 111262 < previous   next >
PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpegt1-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-2273.73960323; Eh
thumbnail.jpegt10-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3101.69786652; Eh
thumbnail.jpegt11-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3101.68400747; Eh
thumbnail.jpegt11-12-Gaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-3101.68108572; Eh
thumbnail.jpegt12-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3101.68570219; Eh
thumbnail.jpegt12-13-Gaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-3101.67703302; Eh
thumbnail.jpegt13-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3101.70999738; Eh
thumbnail.jpegt14-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3002.76943090; Eh
thumbnail.jpegt15-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3002.76577011; Eh
thumbnail.jpegt15-16-Gaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-3002.76212111; Eh
thumbnail.jpegt16-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3002.76902640; Eh
thumbnail.jpegt17-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3002.78059184; Eh
thumbnail.jpegt17-18-Gaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-3002.74689844; Eh
thumbnail.jpegt18-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-2814.27713787; Eh
thumbnail.jpegt19-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-2814.26664743; Eh
thumbnail.jpegt2-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3002.78191760; Eh
thumbnail.jpegt2-3-Gaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-3002.76590105; Eh
thumbnail.jpegt20-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-2814.25361411; Eh
thumbnail.jpegt21-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-2814.25124320; Eh
thumbnail.jpegt22-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-2814.26301667; Eh