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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Sep-2017TSminor_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUwB97XDlanl2dz; 6-31+g(d)-3947.49341775; Eh
thumbnail.jpeg29-Sep-20176major_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUwB97XDlanl2dz; 6-31+g(d)-3947.55722534; Eh
thumbnail.jpeg29-Sep-20176minor_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUwB97XDlanl2dz; 6-31+g(d)-3947.55526035; Eh
thumbnail.jpeg29-Sep-20178_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUwB97XDlanl2dz; 6-31+g(d)-2528.82745763; Eh
thumbnail.jpeg29-Sep-20179_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUwB97XDlanl2dz; 6-31+g(d)-2528.74630347; Eh
thumbnail.jpeg29-Sep-2017TSmajor_MeFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUwB97XDlanl2dz; 6-31+g(d)-3947.49754039; Eh
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