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Showing results 21245 to 21264 of 62969 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Nov-2021imf2nme2-zrcl5_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-2851.9125147; Eh
thumbnail.jpeg20-Nov-2021imf2nme2b3lypMorán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* GENECP-503.271285623; Eh
thumbnail.jpeg20-Nov-2021imf2nme2b3lyp_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* GENECP-503.278981; Eh
Login required20-Mar-2024ImineGaray Ruiz, DiegoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPCC-PVTZ-483.1535656; Eh
thumbnail.jpeg20-Nov-2021imme2nme2-incl2Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-1305.68884785; Eh
thumbnail.jpeg20-Nov-2021imme2nme2-incl2_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-1305.7709233; Eh
thumbnail.jpeg20-Nov-2021imme2nme2-oso3Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-699.203446681; Eh
thumbnail.jpeg20-Nov-2021imme2nme2-oso3_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-699.4879086; Eh
thumbnail.jpeg20-Nov-2021imme2nme2-pdhph32Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-1198.18348204; Eh
thumbnail.jpeg20-Nov-2021imme2nme2-pdhph32_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-1198.2472649; Eh
thumbnail.jpeg20-Nov-2021imme2nme2-pdph3Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-854.617210847; Eh
thumbnail.jpeg20-Nov-2021imme2nme2-pdph3_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-854.6280507; Eh
thumbnail.jpeg20-Nov-2021imme2nme2-zrcl5Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-2732.01707781; Eh
thumbnail.jpeg20-Nov-2021imme2nme2-zrcl5_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-2732.1065861; Eh
thumbnail.jpeg20-Nov-2021imme2nme2b3lypMorán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* GENECP-383.457469331; Eh
thumbnail.jpeg20-Nov-2021imme2nme2b3lyp_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* GENECP-383.4680509; Eh
thumbnail.jpeg20-Nov-2021imncn2nme2b3lypMorán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* GENECP-713.804210176; Eh
thumbnail.jpeg20-Nov-2021imnet2-incl2Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-1305.67862457; Eh
thumbnail.jpeg20-Nov-2021imnet2-incl2_aqMorán, LucíaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GENECP-1305.7611312; Eh
thumbnail.jpeg20-Nov-2021imnet2-oso3Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GENECP-699.179459447; Eh