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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-C5-3THF-I5Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-3172.32815084; Eh
thumbnail.jpeg27-Feb-2018K-I-C5-3THF-I6Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-3170.58581536; Eh
thumbnail.jpeg27-Feb-2018Na-Br-C5-3THF-I5Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-3306.45918508; 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-C5-2THF-TS2Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2939.83864588; Eh
thumbnail.jpeg27-Feb-2018Br-C5-I3Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2213.62371154; 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-I-C6-2THF-I5Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2977.37881500; Eh
thumbnail.jpeg27-Feb-2018I2Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-1965.18037703; Eh
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