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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Feb-2018K-Br-C4-0THF-I5Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point Structure-6-311++g**-2435.59613164; Eh
thumbnail.jpeg27-Feb-2018K-Br-C4-0THF-I6Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2435.64373729; Eh
thumbnail.jpeg27-Feb-2018K-Br-C4-0THF-TS2Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2435.58313565; Eh
thumbnail.jpeg27-Feb-2018K-Br-C4-1THF-I5Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2668.07171164; Eh
thumbnail.jpeg27-Feb-2018K-Br-C4-1THF-I6Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2668.17836549; Eh
thumbnail.jpeg27-Feb-2018K-Br-C4-1THF-TS2Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2668.05886947; Eh
thumbnail.jpeg27-Feb-2018K-Br-C4-2THF-I5Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point Structure-6-311++g**-2900.54288934; Eh
thumbnail.jpeg27-Feb-2018K-Br-C4-2THF-I6Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point Structure-6-311++g**-2900.65004166; Eh
thumbnail.jpeg27-Feb-2018K-Br-C4-2THF-TS2Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2900.52901050; Eh
thumbnail.jpeg27-Feb-2018K-Br-C4-3THF-I5Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point Structure-6-311++g**-3133.01227478; Eh
thumbnail.jpeg27-Feb-2018K-Br-C4-3THF-I6Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point Structure-6-311++g**-3133.11537137; Eh
thumbnail.jpeg27-Feb-2018K-Br-C4-3THF-TS2Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point Structure-6-311++g**-3132.99763403; Eh
thumbnail.jpeg27-Feb-2018K-Br-C5-0THF-I5Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2474.91759832; Eh
thumbnail.jpeg27-Feb-2018K-Br-C5-0THF-I6Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2474.95650276; Eh
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