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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Mar-2018TS-c5-ClFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-1928.72206679; Eh
thumbnail.jpeg8-Mar-2018TS-c6-c7Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-1468.37165481; Eh
thumbnail.jpeg8-Mar-2018c2_TFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-1875.05304663; Eh
thumbnail.jpeg8-Mar-2018c2pFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-857.496118608; Eh
thumbnail.jpeg8-Mar-2018c7pFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-1778.02336460; Eh
thumbnail.jpeg8-Mar-20182aFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-1565.48974149; Eh
thumbnail.jpeg8-Mar-2018_IPrNi(I)Cl(sty)_Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-1627.47520112; Eh
thumbnail.jpeg8-Mar-2018TS-c7p-styFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-1777.99759236; Eh
thumbnail.jpeg8-Mar-2018c3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-1875.07453551; Eh
thumbnail.jpeg8-Mar-2018c6pFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-1468.41507785; Eh
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