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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Feb-2024 | TSA4BH | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.80451189; Eh | |||
 | 27-Feb-2024 | TSA4Re | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.81801356; Eh | |||
 | 27-Feb-2024 | TSA3A4 | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.83072965; Eh | |||
 | 27-Feb-2024 | TSA1A2 | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.79161163; Eh | |||
 | 26-Nov-2024 | fig_s6_ts_4_aq_3 | Artigas, Albert | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2893.92627213; Eh | |||
| 26-Nov-2024 | fig_s6_ts_3_aq_3 | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2893.92498666; Eh | |||
 | 5-Jul-2024 | c60_X_ts_opt_freq | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ | -3471.58215441; Eh | |||
| 26-Nov-2024 | fig_s6_ts_2_ins_aq_3 | Artigas, Albert | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2893.87922998; Eh | |||
| 26-Nov-2024 | fig_s6_ts_2_aq_3 | Artigas, Albert | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2893.89459538; Eh | |||
| 26-Nov-2024 | fig_s4_ts_2_isom | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2664.50198602; Eh |
Results 161-170 of 207 (Search time: 0.002 seconds).