1. UdG

Browsing by Title

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 4381 to 4400 of 4713 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
Login required21-May-2019TS_A1A2Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-3674.5202321; Eh
Login required21-May-2019TS_A2A3Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-3674.5741056; Eh
Login required21-May-2019TS_A2A3PP_ENDOArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.4249345; Eh
Login required21-May-2019TS_A2A3PP_EXOArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.4255626; Eh
Login required21-May-2019TS_A3A4Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-3674.5687007; Eh
Login required21-May-2019TS_A3A4P_ENDO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.4337095; Eh
Login required21-May-2019TS_A3A4P_ENDO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.4322716; Eh
Login required21-May-2019TS_A3A4P_EXO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.4308984; Eh
Login required21-May-2019TS_A3A4P_EXO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-4020.4296763; Eh
Login required21-May-2019TS_A3PB1Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM06Lcc-pVTZ-3674.5590763; Eh
Showing results 4381 to 4400 of 4713 < previous   next >