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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Feb-2018K-Br-C5-0THF-TS2Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2474.89223764; Eh
thumbnail.jpeg27-Feb-2018K-Br-C5-1THF-I5Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point Structure-6-311++g**-2707.38600593; Eh
thumbnail.jpeg27-Feb-2018K-Br-C5-1THF-I6Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2707.42492804; Eh
thumbnail.jpeg27-Feb-2018K-Br-C5-1THF-TS2Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2707.36556973; Eh
thumbnail.jpeg27-Feb-2018K-Br-C5-2THF-I5Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2939.85866596; Eh
thumbnail.jpeg27-Feb-2018K-Br-C5-2THF-I6Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2939.89395756; Eh
thumbnail.jpeg27-Feb-2018K-Br-C5-2THF-TS2Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2939.83864588; Eh
thumbnail.jpeg27-Feb-2018K-Br-C5-3THF-I5Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-3172.32815084; Eh
thumbnail.jpeg27-Feb-2018K-Br-C5-3THF-I6Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-3172.35706761; Eh
thumbnail.jpeg27-Feb-2018K-Br-C5-3THF-TS2Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-3172.30309819; Eh
thumbnail.jpeg27-Feb-2018K-Br-C6-0THF-I5Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2514.21333783; Eh
thumbnail.jpeg27-Feb-2018K-Br-C6-0THF-I6Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2514.38114715; Eh
thumbnail.jpeg27-Feb-2018K-Br-C6-0THF-TS2Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2514.19708431; Eh
thumbnail.jpeg27-Feb-2018K-Br-C6-1THF-I5Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2746.68759784; Eh
thumbnail.jpeg27-Feb-2018K-Br-C6-1THF-I6Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2746.84650957; Eh
thumbnail.jpeg27-Feb-2018K-Br-C6-1THF-TS2Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2746.66570395; Eh
thumbnail.jpeg27-Feb-2018K-Br-C6-2THF-I5Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point Structure-6-311++g**-2979.16482608; Eh
thumbnail.jpeg27-Feb-2018K-Br-C6-2THF-I6Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2979.31044044; Eh
thumbnail.jpeg27-Feb-2018K-Br-C6-2THF-TS2Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point Structure-6-311++g**-2979.13417366; Eh
thumbnail.jpeg27-Feb-2018K-Br-C6-3THF-I5Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point Structure-6-311++g**-3211.63697495; Eh