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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Jul-2018/Ru-iPr-OAc-Second_Reaction-BSSE I5Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDsdd; 6-311++g**-2448.25681017; Eh
thumbnail.jpeg16-Jul-2018/Ru-iPr-OAc-Second_Reaction-BSSE I6Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDsdd; 6-311++g**-2219.13306862; Eh
thumbnail.jpeg16-Jul-2018/Ru-iPr-OAc-Second_Reaction-BSSE TS-I6-I7Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDsdd; 6-311++g**-2448.23246930; Eh
thumbnail.jpeg16-Jul-2018/Ru-iPr-OAc-Second_Reaction-BSSE TS-I4-I5Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDsdd; 6-311++g**-2448.23971891; Eh
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
Results 31-40 of 205 (Search time: 0.002 seconds).