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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c8-OAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2007.89457347; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_MECP_SFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G**-1620.79674410; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_allylacetateFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G**-345.667202520; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c6Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1622.27265526; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c10Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1471.84615333; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_c8Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G**-1777.98815319; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_HOAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G**-229.041449914; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations TS-c1-4Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1817.78622863; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_c6_yne_OAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G**-2007.06263261; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_TS_c7_c9Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G**-1929.52685067; Eh
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