1. Barcelona Supercomputing Center

Browsing by Author Rodriguez, Sindy

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Aug-2024/BD-D6 BD-D6_ReactantRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2TZVP-155.963643394; Eh
Login required12-Aug-2024/BD-D6 BD-D6_ReactantRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2TZVP-155.963643394; Eh
Login required12-Aug-2024/BD-D6 BD-D6_TSRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2TZVP-155.962450931; Eh
thumbnail.jpeg12-Aug-2024/BD-D6 BD-D6_TSRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2TZVP-155.962450931; Eh
Login required12-Aug-2024/BzOH BzOH_ReactantRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Single point StructureRM062XDEF2TZVP-346.757055043; Eh
thumbnail.jpeg12-Aug-2024/BzOH BzOH_ReactantRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Single point StructureRM062XDEF2TZVP-346.757055043; Eh
Login required12-Aug-2024/BzOH BzOH_TSRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2TZVP-346.754761449; Eh
thumbnail.jpeg12-Aug-2024/BzOH BzOH_TSRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2TZVP-346.754761449; Eh
thumbnail.jpeg12-Aug-2024/BzSH BzSH_ReactantRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2TZVP-669.720711615; Eh
Login required12-Aug-2024/BzSH BzSH_ReactantRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2TZVP-669.720711615; Eh
thumbnail.jpeg12-Aug-2024/BzSH BzSH_TSRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2TZVP-669.718974119; Eh
Login required12-Aug-2024/BzSH BzSH_TSRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2TZVP-669.718974119; Eh
Login required12-Aug-2024/CBuFA CBuFA_ReactantRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2TZVP-420.997889459; Eh
thumbnail.jpeg12-Aug-2024/CBuFA CBuFA_ReactantRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2TZVP-420.997889459; Eh
thumbnail.jpeg12-Aug-2024/CBuFA CBuFA_TSRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2TZVP-420.997433729; Eh
Login required12-Aug-2024/CBuFA CBuFA_TSRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM062XDEF2TZVP-420.997433729; Eh
thumbnail.jpeg12-Aug-2024/DSOH DSOH_ReactantRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Single point MinimumRM062XDEF2TZVP-474.582194743; Eh
Login required12-Aug-2024/DSOH DSOH_ReactantRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Single point MinimumRM062XDEF2TZVP-474.582194743; Eh
thumbnail.jpeg12-Aug-2024/DSOH DSOH_TSRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Single point MinimumRM062XDEF2TZVP-474.575022893; Eh
Login required12-Aug-2024/DSOH DSOH_TSRodriguez, SindyGaussian; 16; ES64L-G16RevC.01Single point MinimumRM062XDEF2TZVP-474.575022893; Eh
Showing results 1 to 20 of 408  next >