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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-Mar-2018(IPr)2NiCl2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-2466.34392618; Eh
thumbnail.jpeg8-Mar-2018c4Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-1875.11346063; Eh
thumbnail.jpeg8-Mar-2018Py_radFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUwB97XD6-311+G**-247.578117541; Eh
thumbnail.jpeg8-Mar-2018-OtBuFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311+G**-233.110957850; Eh
thumbnail.jpeg8-Mar-2018BenzeneFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311+G**-232.225533473; Eh
thumbnail.jpeg8-Mar-2018(C6H6)(bpy)NiFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311+G**-896.898032728; Eh
thumbnail.jpeg8-Mar-2018LiOtBuFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311+G**-240.640717108; Eh
thumbnail.jpeg8-Mar-20182aFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-1565.48974149; Eh
thumbnail.jpeg8-Mar-2018HOtBuFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311+G**-233.680591211; Eh
thumbnail.jpeg8-Mar-2018TS-c5-ClFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; wB97XD; UFF6-311+G**-1928.72206679; Eh
Results 1-10 of 37 (Search time: 0.001 seconds).