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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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_O2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G**-150.298142864; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_c6_yneFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G**-1929.54657591; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_c8_OAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G**-2006.60092827; 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_OAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G**-228.561679204; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_MECP_TFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G**-1620.79314396; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_ClFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G**-460.365146642; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations TS-c6-c7Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1930.76186996; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_TS_4_c2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G**-1816.16258924; Eh
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