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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-May-2018 | 4_TS3 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM06 | lanl2dz; 6-31+g(d) | -1129.61037053; Eh | |||
 | 8-May-2018 | 2_TS3 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM06 | lanl2dz; 6-31+g(d) | -1106.37109730; Eh | |||
 | 8-May-2018 | 1_TS3 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM06 | lanl2dz; 6-31+g(d) | -1161.71434669; Eh | |||
 | 8-May-2018 | 1_3TSD | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM06 | lanl2dz; 6-31+g(d) | -1161.75415665; Eh | |||
 | 8-May-2018 | 1_TSp | Fernández, Víctor | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization TS | UM06 | lanl2dz; 6-31+g(d) | -1161.81391529; Eh | |||
 | 28-Jan-2021 | /Optimizations TS2-Co+-d | Lopez Resano, Sara | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM06 | LANL2DZ 6-31G* GENECP | -1748.83273464; Eh | |||
 | 28-Jan-2021 | /Optimizations TS1-t | Lopez Resano, Sara | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM06 | LANL2DZ 6-31G* GENECP | -1748.96733843; Eh | |||
 | 28-Jan-2021 | /Optimizations TS3-+2-t | Lopez Resano, Sara | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM06 | LANL2DZ 6-31G* GENECP | -1748.60651583; Eh | |||
 | 11-May-2021 | TS-3B_bis-3B_ | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM06 | 6-31+G(D) GENECP | -1283.15224389; Eh | |||
 | 11-May-2021 | TS-3B_-3C_ | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM06 | 6-31+G(D) GENECP | -1283.15185087; Eh |
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