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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Aug-2016t1Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-2273.73960323; Eh
thumbnail.jpeg31-Aug-2016t18Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); SDD-2814.27713787; Eh
thumbnail.jpeg31-Aug-201633-EKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31G(d)-1019.51168444; Eh
thumbnail.jpeg31-Aug-2016vinylcarboanteKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D--728.984535755; Eh
thumbnail.jpeg14-Jul-2015P2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-119.054144216; Eh
thumbnail.jpeg14-Jul-2015P0Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-40.4888420984; Eh
thumbnail.jpeg9-Aug-2020DFT-Small-system-catalystFondevila, Adiran J. De AguirreGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB97D6-31+G* GENECP-1708.16459222; Eh
thumbnail.jpeg9-Aug-2020DFT-Small-system-FullFondevila, Adiran J. De AguirreGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB97D6-31+G* GENECP-2323.49509920; Eh
thumbnail.jpeg9-Aug-2020DFT-Small-system-surfaceFondevila, Adiran J. De AguirreGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB97D6-31+G* GENECP-615.308266495; Eh
thumbnail.jpeg11-Mar-2021TOL_metallocarbene7_BS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+G* 6-31G LANL2DZ GEN-2196.31894013; Eh
Results 331-340 of 340 (Search time: 0.001 seconds).