Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3hcooo-f-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-404.284761760; Eh
thumbnail.jpeg11-Mar-2021TOL_TSCC_BS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G* 6-31G LANL2DZ GEN-4508.05743488; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3hcooo-br-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G* GENECP-317.602465031; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3hcooo-sch3-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-742.528505114; Eh
thumbnail.jpeg11-Mar-2021DCM_TSHOMOBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2787.05254444; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3c6h5-och2ch3-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-426.120715124; Eh
thumbnail.jpeg11-Mar-2021DCM_TS5Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2312.27130014; Eh
thumbnail.jpeg11-Mar-2021DCM_TSN2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2421.79589091; Eh
thumbnail.jpeg11-Mar-2021TOL_TSDCO3Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2312.27109816; Eh
thumbnail.jpeg11-Mar-2021TOL_TSDCO2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2312.27188179; Eh
Results 1261-1270 of 1688 (Search time: 0.003 seconds).