1. Barcelona Supercomputing Center

Browsing by Subject Spin crossover

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 41 to 60 of 240 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required27-Sep-2021SCO_B3LYPSTAR_S11_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-7991.12412895; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S11_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-7991.13630926; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S12_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-4062.50469385; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S12_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-4062.51147847; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S13_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2661.20234955; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S13_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2661.21052329; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S14_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-3445.19540294; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S14_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-3445.20827108; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S15_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2888.94267115; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S15_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2888.95170900; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S16_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2630.37885422; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S16_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2630.38909229; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S17_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2433.96628684; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S17_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2433.98235835; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S18_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUBLYPDEF2TZVP-2819.06653376; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S18_HS_OLDVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2819.03207165; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S18_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2819.07646446; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S18_LS_OLDVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-2819.02875522; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S1_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-3145.97127236; Eh
Login required27-Sep-2021SCO_B3LYPSTAR_S1_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUBLYPDEF2TZVP-3145.97752295; Eh
Showing results 41 to 60 of 240 < previous   next >