Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | W_prop_Rh_unbound_ylide | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | GENECP | - | ||
 | W_prop_product | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | GENECP | - | ||
 | W_prop_Rh_bound_ylide | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | GENECP | - | ||
 | W_prop_free_ylide | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | 6-31G(D) | - | ||
 | W_prop_free_product | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | 6-31G(D) | - | ||
 | A_nitrile_Rh_bound_ylide_TSS | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | 6-31G(D) | - | ||
 | W_Rh_unbound_ylide_TSS | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | GENECP | - | ||
 | A_nitrile_product | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | GENECP | - | ||
 | A_nitrile_unbound_ylide | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | GENECP | - | ||
 | A_nitrile_Rh_unbound_ylide_TSS | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | GENECP | - | ||
 | A_nitrile_Rh_bound_ylide | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | GENECP | - | ||
 | Gold_bound_ylide | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | UB3LYP | GENECP | - | ||
 | Gold_unbound_ylide | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | UB3LYP | GENECP | - | ||
 | Gold_rearrangement_product | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | UB3LYP | GENECP | - | ||
 | Gold_rearrangement_TSS | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | UB3LYP | GENECP GEN | - | ||
 | CH_Rh_bound_ylide | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | GENECP | - | ||
 | CH_Rh_bound_rearrangement_product | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | GENECP | - | ||
 | CH_Rh_bound_rearrangement_TSS | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | GENECP | - | ||
 | CH_free_ylide_TSS | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | 6-31G(D) | - | ||
 | CH_free_ylide | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | 6-31G(D) | - | ||
 | W_Rh_ylide_TSS | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | GENECP | - | ||
 | W_Rh_bound_ylide | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | GENECP | - | ||
 | W_Rh_unbound_ylide | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | GENECP | - | ||
 | W_rearrangement_product | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | GENECP | - | ||
 | W_free_ylide_TSS | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | UB3LYP | 6-31G(D) | - |
Results 1-25 of 54 (Search time: 0.019 seconds).
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Method
- 54 UB3LYP
Basis
- 39 GENECP
- 14 6-31G(D)
- 1 GENECP GEN
Program name
- 54 Gaussian
Calculation type
Institution