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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Sep-20173Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+g(d)-1858.15055969; Eh
thumbnail.jpeg29-Sep-20174_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDlanl2dz; 6-31+g(d)-2529.39739093; Eh
thumbnail.jpeg29-Sep-20175_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDlanl2dz; 6-31+g(d)-2528.91819204; Eh
thumbnail.jpeg29-Sep-2017TSPAFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XDlanl2dz; 6-31+g(d)-2856.21677656; Eh
thumbnail.jpeg29-Sep-20177minor_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDlanl2dz; 6-31+g(d)-3947.42294477; Eh
thumbnail.jpeg29-Sep-20177major_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDlanl2dz; 6-31+g(d)-3947.42424765; Eh
thumbnail.jpeg27-Feb-2018K-I-C6-0THF-I6Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2512.59650442; Eh
thumbnail.jpeg27-Feb-2018Na-Br-C5-0THF-I5Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2609.03227695; 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-C5-1THF-I6Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-2707.42492804; Eh
Results 41-50 of 822 (Search time: 0.009 seconds).