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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Feb-2018K-I-C6-1THF-TS2Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2744.88332275; Eh
thumbnail.jpeg27-Feb-2018Br-spiroC5-TS4cNi, ShaofeiGaussian; 09; ES64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2444.81023087; Eh
thumbnail.jpeg27-Feb-2018Na-Br-C5-1THF-TS2Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2841.49127970; Eh
thumbnail.jpeg27-Feb-2018Br-spiroC5-I3Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2444.87796025; Eh
thumbnail.jpeg27-Feb-2018K-Br-spiroC5-0THF-I6Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2706.21453260; Eh
thumbnail.jpeg27-Feb-2018K-Br-spiroC5-2THF-TS2Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-3171.08783513; Eh
thumbnail.jpeg27-Feb-2018K-Br-C6-0THF-I6Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2514.38114715; Eh
thumbnail.jpeg27-Feb-2018Br-C4-I3Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2174.30948636; Eh
thumbnail.jpeg27-Feb-2018Br-R4Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-209.111510495; Eh
thumbnail.jpeg27-Feb-2018K-Br-spiroC5-3THF-I6Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point Structure-6-311++g**-3403.62123284; Eh
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