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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Apr-2019Br_c2FFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-25424.064633; Eh
thumbnail.jpeg30-Apr-2019Br_c2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-25424.0805891; Eh
thumbnail.jpeg30-Apr-2019Br_MECP_c1_c2_F_TFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-25424.0318509; Eh
thumbnail.jpeg30-Apr-2019Br_MECP_c1_c2_TFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-25424.0309685; Eh
thumbnail.jpeg30-Apr-2019Br_TS_c2p_c3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-25424.0542274; 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-2019Br_MECP_c4_c5_TFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-25424.0864979; Eh
thumbnail.jpeg30-Apr-2019Ms_c2FFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-2267.0919587; Eh
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