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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Feb-2018K-Br-C5-1THF-TS2Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2707.36556973; Eh
thumbnail.jpeg27-Feb-2018K-I-C6-2THF-I6Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2977.53563685; Eh
thumbnail.jpeg27-Feb-2018K-I-C6-1THF-I6Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2745.07190899; Eh
thumbnail.jpeg27-Feb-2018Br-C4-TS1Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2174.29200017; Eh
thumbnail.jpeg27-Feb-2018K-I-C5-3THF-I5Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-3170.54373183; Eh
thumbnail.jpeg27-Feb-2018I-R5Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-246.637141303; 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
Results 821-830 of 1781 (Search time: 0.002 seconds).