Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | 4 | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | RB3LYP | 6-31+G(D,P) | -781.456436981; Eh | ||
 | L | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | TS(L-M) | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | TS(A-L) | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | M | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | 14S_1_2 | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | 14S_1_3 | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | 14R_1_1 | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | 14R_1_2 | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | 14R_1_3 | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | 14R_1_5 | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | 12S_1 | Laconsay, Croix | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | 12S_2 | Laconsay, Croix | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | 12S_3 | Laconsay, Croix | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | 12S_4 | Laconsay, Croix | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | 12S_5 | Laconsay, Croix | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | 12S_6 | Laconsay, Croix | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | 12R_1 | Laconsay, Croix | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | 12R_2 | Laconsay, Croix | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | 12R_3 | Laconsay, Croix | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | 12R_4 | Laconsay, Croix | Gaussian; 09; ES64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | 10_et_down_high_opt_d3bj | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | 10_et_up_high_opt_d3bj | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | 14S_1_1 | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | RB3LYP | 6-31+G(D,P) | - | ||
 | TS(A-B) | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | RB3LYP | 6-31+G(D,P) | - |
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