Browsing by Author Díaz-Ruiz, Marina
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| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | ac-gly-o | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GEN | -436.8168759; Eh | ||
 | ac-gly-oh | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GEN | -437.2881419; Eh | ||
 | aco | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GEN | -228.7083556; Eh | ||
 | acoh | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GEN | -229.1905467; Eh | ||
 | arene | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GEN | -882.3157067; Eh | ||
 | B-rot | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -3141.5472129; Eh | ||
 | Br-radical | Díaz-Ruiz, Marina | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | CC-PVTZ GEN | -2574.1912985; Eh | ||
 | Br-radical-water | Díaz-Ruiz, Marina | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | CC-PVTZ GEN | -2574.1888271; Eh | ||
 | Br2 | Díaz-Ruiz, Marina | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | CC-PVTZ GEN | -5148.4584735; Eh | ||
 | Br2-water | Díaz-Ruiz, Marina | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | CC-PVTZ GEN | -5148.4547227; Eh | ||
 | bromide | Díaz-Ruiz, Marina | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | CC-PVTZ GEN | -2574.3981992; Eh | ||
 | bromide-water | Díaz-Ruiz, Marina | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | CC-PVTZ GEN | -2574.3970351; Eh | ||
 | C-rot | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -3141.5442061; Eh | ||
 | cu1-opiv | Díaz-Ruiz, Marina | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | CC-PVTZ GENECP | -1987.2389943; Eh | ||
 | cu1-prod | Díaz-Ruiz, Marina | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | CC-PVTZ GEN | -2922.3147105; Eh | ||
 | cu2-morph-pic | Díaz-Ruiz, Marina | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | CC-PVTZ GEN | -2575.6637937; Eh | ||
 | cu2-morph-pich | Díaz-Ruiz, Marina | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | CC-PVTZ GEN | -2923.3842154; Eh | ||
 | cu2-nh | Díaz-Ruiz, Marina | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | CC-PVTZ GEN | -2575.6960058; Eh | ||
 | cu2-opiv2 | Díaz-Ruiz, Marina | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | CC-PVTZ GENECP | -2333.8389798; Eh | ||
 | cu2-otf2 | Díaz-Ruiz, Marina | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | CC-PVTZ GENECP | -3564.1124558; Eh |