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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Apr-2019c4-pFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-2537.5759449; Eh
thumbnail.jpeg30-Apr-2019c3-pFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-2537.5665661; Eh
thumbnail.jpeg30-Apr-2019Br_c2pFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-25424.079236; Eh
thumbnail.jpeg30-Apr-2019Br_c3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-25424.0976435; Eh
thumbnail.jpeg30-Apr-2019Br_c4Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-25424.1080282; Eh
thumbnail.jpeg30-Apr-2019MECP_c8-c3_Cl_TFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-2858.5946309; Eh
thumbnail.jpeg30-Apr-2019TS_c6-c7-ClFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-2858.5575673; Eh
thumbnail.jpeg30-Apr-2019c3_ClFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-2858.6065272; Eh
thumbnail.jpeg30-Apr-2019c7_ClFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-2397.715996; Eh
thumbnail.jpeg30-Apr-2019CuII_c1FFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-2958.4187809; Eh
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