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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required19-Feb-2019alledo14Lledó, AgustíGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--
thumbnail.jpeg29-Jan-2024alpha_int_2Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point Structure---
thumbnail.jpeg29-Jan-2024alpha_int_3Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point Structure---
thumbnail.jpeg29-Jan-2024alpha_int_4Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point Structure---
thumbnail.jpeg29-Jan-2024alpha_ts_1Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point Structure---
thumbnail.jpeg29-Jan-2024alpha_ts_2Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point Structure---
thumbnail.jpeg19-Feb-2018/AsqJ_cluster_models cluster_P-a_OHWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/AsqJ_cluster_models cluster_P-b_OHWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/AsqJ_cluster_models cluster_P_HWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/AsqJ_cluster_models cluster_RI-1aWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/AsqJ_cluster_models cluster_RI-1bWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/AsqJ_cluster_models cluster_SWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/AsqJ_cluster_models cluster_TS-1aWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/AsqJ_cluster_models cluster_TS-1bWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/AsqJ_cluster_models cluster_TS-2a_HWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/AsqJ_cluster_models cluster_TS-2a_OHWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/AsqJ_cluster_models cluster_TS-2b_HWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/AsqJ_cluster_models cluster_TS-2b_OHWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg13-Sep-2021azo-endo-RBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(2D,2P)-1107.4560725; Eh
thumbnail.jpeg13-Sep-2021azo-endo-R-pBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(2D,2P)-1107.4581694; Eh