1. Barcelona Supercomputing Center

Browsing by Author Fjermestad, Torstein

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Showing results 1 to 20 of 69  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Aug-2024CO2-DZFjermestad, TorsteinGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRPBE1PBE6-31+G(D) GEN-188.387489930; Eh
thumbnail.jpeg12-Aug-2024CO2-TZFjermestad, TorsteinGaussian; 16; ES64L-G16RevB.01Single point StructureRPBE1PBE6-311+G(D) GEN-188.4422492; Eh
thumbnail.jpeg12-Aug-2024CO2-TZ-2-butanolFjermestad, TorsteinGaussian; 16; ES64L-G16RevC.01Single point StructureRPBE1PBE6-311+G(D) GEN-188.4397615; Eh
thumbnail.jpeg12-Aug-2024Ep-DZFjermestad, TorsteinGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRPBE1PBE6-31+G(D) GEN-309.515751783; Eh
thumbnail.jpeg12-Aug-2024Ep-TZFjermestad, TorsteinGaussian; 16; ES64L-G16RevB.01Single point StructureRPBE1PBE6-311+G(D) GEN-309.5766105; Eh
thumbnail.jpeg12-Aug-2024Ep-TZ-2-butanolFjermestad, TorsteinGaussian; 16; ES64L-G16RevC.01Single point StructureRPBE1PBE6-311+G(D) GEN-309.5768291; Eh
thumbnail.jpeg12-Aug-2024M-10cis-DZFjermestad, TorsteinGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBE6-31+G(D) GEN-2745.00540038; Eh
thumbnail.jpeg12-Aug-2024M-10cis-TZFjermestad, TorsteinGaussian; 16; ES64L-G16RevC.01Single point StructureRPBE1PBE6-311+G(D) GEN-2745.4034491; Eh
thumbnail.jpeg12-Aug-2024M-10trans-DZFjermestad, TorsteinGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRPBE1PBE6-31+G(D) GEN-2745.00206747; Eh
thumbnail.jpeg12-Aug-2024M-10trans-TZFjermestad, TorsteinGaussian; 16; ES64L-G16RevB.01Single point StructureRPBE1PBE6-311+G(D) GEN-2745.3998633; Eh
thumbnail.jpeg12-Aug-2024M-11-DZFjermestad, TorsteinGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBE6-31+G(D) GEN-2745.00179867; Eh
thumbnail.jpeg12-Aug-2024M-11-TZFjermestad, TorsteinGaussian; 16; ES64L-G16RevC.01Single point StructureRPBE1PBE6-311+G(D) GEN-2745.3990029; Eh
thumbnail.jpeg12-Aug-2024M-12-DZFjermestad, TorsteinGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRPBE1PBE6-31+G(D) GEN-3393.63728065; Eh
thumbnail.jpeg12-Aug-2024M-12-TZFjermestad, TorsteinGaussian; 16; ES64L-G16RevB.01Single point StructureRPBE1PBE6-311+G(D) GEN-3394.1155903; Eh
thumbnail.jpeg12-Aug-2024M-13-DZFjermestad, TorsteinGaussian; 16; ES64L-G16RevC.01Single point StructureRPBE1PBE6-31+G(D) GEN-3514.75088033; Eh
thumbnail.jpeg12-Aug-2024M-13-TZFjermestad, TorsteinGaussian; 16; ES64L-G16RevC.01Single point StructureRPBE1PBE6-311+G(D) GEN-3515.243495; Eh
thumbnail.jpeg12-Aug-2024M-14cis-DZFjermestad, TorsteinGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBE6-31+G(D) GEN-3703.19191067; Eh
thumbnail.jpeg12-Aug-2024M-14cis-TZFjermestad, TorsteinGaussian; 16; ES64L-G16RevC.01Single point StructureRPBE1PBE6-311+G(D) GEN-3703.7341753; Eh
thumbnail.jpeg12-Aug-2024M-14trans-DZFjermestad, TorsteinGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRPBE1PBE6-31+G(D) GEN-3703.18740425; Eh
thumbnail.jpeg12-Aug-2024M-14trans-TZFjermestad, TorsteinGaussian; 16; ES64L-G16RevB.01Single point StructureRPBE1PBE6-311+G(D) GEN-3703.7289573; Eh
Showing results 1 to 20 of 69  next >