Search
Add filters:
Use filters to refine the search results.
Item hits:
| 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 | 02_XI_aq_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -3595.4171867; Eh | |||
 | 5-Jul-2024 | 01_X_aq_spe | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -3595.4360769; 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 |
Results 31-34 of 34 (Search time: 0.001 seconds).