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Showing results 4371 to 4390 of 4713 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jun-2020TS4BMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYPGEN-915.6579274; Eh
thumbnail.jpeg23-Jun-2020TS5Miłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPGEN-992.5904823; Eh
thumbnail.jpeg23-Jun-2020TS5_primMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYPGEN-916.0999699; Eh
thumbnail.jpeg23-Jun-2020TS5BMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYPGEN-915.653199; Eh
thumbnail.jpeg30-Oct-2017TS67_NiBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg23-Jun-2020TS6_primMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYPGEN-916.1158661; Eh
thumbnail.jpeg23-Jun-2020TS6BMiłaczewska, AnnaGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYPGEN-915.6565273; Eh
thumbnail.jpeg6-Nov-2017TS78_FeBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg30-Oct-2017TS78_NiBorowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg8-Jan-2024TS_3_Cl_H2O_C_CBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-4012.0297973; Eh
thumbnail.jpeg8-Jan-2024TS_3_Cl_H2O_O2Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-4012.009083; Eh
thumbnail.jpeg8-Jan-2024TS_3_Cl_H2O_PBorowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-4012.0519593; Eh
thumbnail.jpeg8-Jan-2024TS_3_Cl_O2Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-3935.5218596; Eh
thumbnail.jpeg8-Jan-2024TS_3_H2O_CH3CN_O2Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-3684.4269076; Eh
thumbnail.jpeg8-Jan-2024TS_3_H2O_O2Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-4312.7664963; Eh
thumbnail.jpeg8-Jan-2024TS_3_O2Borowski, TomaszGaussian; 16; ES64L-G16RevC.01Single point StructureUB3LYPDEF2TZVP-4236.2703862; Eh
thumbnail.jpeg3-Oct-2019TS_55_CONCERTEDArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYP--2785.22568918; Eh
thumbnail.jpeg3-Oct-2019TS_56d_CONCERTEDArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYP--2785.22292762; Eh
thumbnail.jpeg3-Oct-2019TS_56f_CONCERTEDArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYP--2785.22952927; Eh
thumbnail.jpeg3-Oct-2019TS_66_CONCERTEDArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYP--2785.21244452; Eh
Showing results 4371 to 4390 of 4713 < previous   next >