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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Apr-2019Br_MECP_c1_c2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-25424.0259063; Eh
thumbnail.jpeg30-Apr-2019TpBr3Cu_NCMeFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-24193.5475146; Eh
thumbnail.jpeg30-Apr-2019Br_c2FFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-25424.064633; Eh
thumbnail.jpeg30-Apr-2019Br_c1FFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-25424.0474662; Eh
thumbnail.jpeg30-Apr-2019Br_c2SFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-25424.0618721; Eh
thumbnail.jpeg30-Apr-2019Br_c1Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-25424.0560075; Eh
thumbnail.jpeg30-Apr-2019Br_c2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311+G**-25424.0805891; Eh
thumbnail.jpeg30-Apr-2019TpBr3CuFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-24060.7055238; 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_TSOxAdd_c1_c2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G**-25424.0276829; Eh
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