Browsing by Author Escofet, Imma

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Apr-2020B-Int3dEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-4241.19076567; Eh
thumbnail.jpeg25-Apr-2020B-Int4bEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-4241.21208077; Eh
thumbnail.jpeg25-Apr-2020B-Int4dEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-4241.21640352; Eh
thumbnail.jpeg25-Apr-2020B-TSInt1b-2bEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-4167.35742293; Eh
thumbnail.jpeg25-Apr-2020B-TSInt1d-2dEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-4167.36280837; Eh
thumbnail.jpeg25-Apr-2020B-TSInt3b-4bEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-4241.18953982; Eh
thumbnail.jpeg25-Apr-2020B-TSInt3d-4dEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRBP866-31G* SDD GENECP-4241.18893406; Eh
thumbnail.jpeg25-Apr-2020Enyne5bEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* GENECP-890.034548813; Eh
thumbnail.jpeg25-Apr-2020enyne9kEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* GEN-963.859114793; Eh
thumbnail.jpeg8-Jan-2020Int1aEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G* SDD GENECP-673.904179606; Eh
thumbnail.jpeg8-Jan-2020Int2aEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G* SDD GENECP-1754.52088294; Eh
thumbnail.jpeg8-Jan-2020Int3aEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G* SDD GENECP-1754.57308100; Eh
thumbnail.jpeg8-Jan-2020Int4aEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G* SDD GENECP-1754.55848972; Eh
thumbnail.jpeg8-Jan-2020Int5aEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G* SDD GENECP-1257.34591021; Eh
thumbnail.jpeg8-Jan-2020Int5bEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G* SDD GENECP-1257.34800879; Eh
thumbnail.jpeg8-Jan-2020Int6aEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G* SDD GENECP-1257.34675345; Eh
thumbnail.jpeg8-Jan-2020Int6bEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G* SDD GENECP-1257.34519211; Eh
thumbnail.jpeg8-Jan-2020Int7aEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G* SDD GENECP-1257.38633291; Eh
thumbnail.jpeg8-Jan-2020Int7bEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G* SDD GENECP-1257.30804510; Eh
thumbnail.jpeg25-Apr-2020LAuEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-3277.27892571; Eh