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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Jul-2024 | 10_ts_5_aq_2_opt_freq_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP; RM06L | CC-PVDZ CC-PVTZ GEN | -3442.4841561; Eh | |||
 | 5-Jul-2024 | 09_ts_4_aq_2_opt_freq_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP; RM06L | CC-PVDZ CC-PVTZ GEN | -3595.3945084; Eh | |||
 | 5-Jul-2024 | 08_ts_3_aq_2_opt_freq_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP; RM06L | CC-PVDZ CC-PVTZ GEN | -3595.4109596; 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_5_aq_3 | Artigas, Albert | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2893.97045146; 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_s6_ts_2_aq_2 | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2817.43612985; 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 | |||
| 26-Nov-2024 | fig_s6_ts_2_aq_1 | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2740.97922503; Eh |
Results 161-170 of 201 (Search time: 0.001 seconds).