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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jan-2018/in_toluene TolueneBesora, MariaGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-31+g**-271.225658512; Eh
thumbnail.jpeg23-Jan-2018/in_toluene Pd(PR3)2(Toluene)Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-31+g**; SDD-2469.83445346; Eh
thumbnail.jpeg23-Jan-2018/in_toluene Pd(PR3)(Toluene)2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-31+g**; SDD-1705.73098954; Eh
thumbnail.jpeg23-Jan-2018/in_toluene Pd(PR3)(Tolune)Besora, MariaGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-31+g**; SDD-1434.49019594; Eh
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