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.jpeg7-Jul-2020I1t_aBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G* SDD GENECP-10019.8107260; Eh
thumbnail.jpeg16-Sep-2022/Cl_system TS45-Cl-oss-2Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYPLANL2DZ 6-31G* GENECP-3529.68464583; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system TS45-+-oss-2Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYPLANL2DZ 6-31G* GENECP-3069.30832395; Eh
thumbnail.jpeg16-Sep-2022/Cl_system TS45-Cl-t-2Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYPLANL2DZ 6-31G* GENECP-3529.68868397; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system TS45-+-t-2Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYPLANL2DZ 6-31G* GENECP-3069.31036871; Eh
Login required1-Apr-2022TSred-i9-hom2aSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G(D) GENECP-1902.83130297; Eh
Login required1-Apr-2022TSred-i7-hom1aSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G(D) GENECP-1218.14905895; Eh
Login required1-Apr-2022TSred-i8-hom2aSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G(D) GENECP-1562.28003119; Eh
Login required1-Apr-2022TSred-i13-hetSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G(D) GENECP-1725.08128642; Eh
Login required1-Apr-2022TShabst1-2aSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31G(D) GENECP-1504.86623560; Eh
Results 41-50 of 71 (Search time: 0.002 seconds).