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 | ||
 | C-rot | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -3141.5442061; Eh | ||
 | cyclooctene_dcm | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GEN | -994.1153182; Eh | ||
 | cyclooctene_I_toluene | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GEN | -994.1130551; Eh | ||
 | ethylene_dcm | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GEN | -78.6261029; Eh | ||
 | ethylene_toluene | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GEN | -78.6251228; Eh | ||
 | F14-I | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -3731.1647776; Eh | ||
 | F8_I | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -3731.1676482; Eh | ||
 | I3 | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -1445.9747354; Eh | ||
 | I3- | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -1445.4611514; Eh | ||
 | I3-gly2 | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -1883.3137647; Eh | ||
 | I3-glyN | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -1445.9515083; Eh | ||
 | I3-glyN- | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -1445.4793084; Eh | ||
 | I3-glyO- | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -1445.4565515; Eh | ||
 | I3-glyOamide | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | RB3LYP | CC-PVTZ GENECP | -1445.9580337; Eh |