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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Mar-2018Li-IndolateFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311+G**-370.749092177; Eh
thumbnail.jpeg8-Mar-2018(C6H6)(bpy)NiFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311+G**-896.898032728; Eh
thumbnail.jpeg8-Mar-2018_IPrNi(I)Cl_Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-1317.83890690; Eh
thumbnail.jpeg8-Mar-20182bFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-3131.02221906; Eh
thumbnail.jpeg8-Mar-2018c2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-1875.09108798; Eh
thumbnail.jpeg8-Mar-2018c6_TFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-1468.40409295; Eh
thumbnail.jpeg8-Mar-2018c7Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-1468.40758045; Eh
thumbnail.jpeg8-Mar-2018(IPr)2NiCl2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-2466.34392618; Eh
thumbnail.jpeg8-Mar-2018TS-c3-c4Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-1875.06755227; Eh
thumbnail.jpeg8-Mar-2018c3pFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-1565.41828498; Eh
Results 1-10 of 37 (Search time: 0.0 seconds).