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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Apr-2017/M06-2X Int1_1monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-961.830064350; Eh
thumbnail.jpeg29-Feb-2016FCb-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-669.351603710; Eh
thumbnail.jpeg29-Feb-2016Int4a-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2652.73509536; Eh
Login required18-Apr-2017/M06-2X NaOPhMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--469.140307082; Eh
thumbnail.jpeg21-Jul-2017Int3ade Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1253.49738032; Eh
thumbnail.jpeg29-Feb-2016Int3b-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3793.34142444; Eh
Login required18-Apr-2017/B3LYP-D3 2Int-cis_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1616.85130599; Eh
thumbnail.jpeg31-Aug-201632-ZKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31G(d)-980.221511330; Eh
Login required18-Apr-2017/M06-2X adductMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1055.76477778; Eh
Login required18-Apr-2017/wB97xD Int2_1monoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLanL2DZ; 6-311G**-1155.31795408; Eh
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