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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jan-2018t1Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-2273.73960323; Eh
thumbnail.jpeg18-Jul-2018T1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g*; lanl2dz-4686.80321249; Eh
thumbnail.jpeg31-Aug-2016t1Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-2273.73960323; Eh
thumbnail.jpeg29-Jan-2018t10Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3197.69353339; Eh
thumbnail.jpeg31-Aug-2016t10Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3101.69786652; Eh
thumbnail.jpeg29-Jan-2018t10_napKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3504.75494032; Eh
thumbnail.jpeg29-Jan-2018t10´Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3197.69270090; Eh
thumbnail.jpeg29-Jan-2018t10´_napKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3504.75381686; Eh
thumbnail.jpeg29-Jan-2018t11Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3197.69976201; Eh
thumbnail.jpeg31-Aug-2016t11Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3101.68400747; Eh
thumbnail.jpeg31-Aug-2016t11-12Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-3101.68108572; Eh
thumbnail.jpeg29-Jan-2018t11_napKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3504.76148606; Eh
thumbnail.jpeg29-Jan-2018t11´Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3197.69858001; Eh
thumbnail.jpeg29-Jan-2018t11´_napKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3504.75768492; Eh
thumbnail.jpeg29-Jan-2018t12Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3197.69185075; Eh
thumbnail.jpeg31-Aug-2016t12Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3101.68570219; Eh
thumbnail.jpeg31-Aug-2016t12-13Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-3101.67703302; Eh
thumbnail.jpeg29-Jan-2018t12_napKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3504.75092299; Eh
thumbnail.jpeg29-Jan-2018t12´Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3197.69430686; Eh
thumbnail.jpeg29-Jan-2018t12´_napKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-3504.75359055; Eh