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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-Nov-2023 | TS6P1_3atsdimer_ClAlAl_f2_r | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2SVP | -5399.54195293; Eh | |||
 | 14-Nov-2023 | ts_dimer_v2_cont | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2SVP | -2949.64776769; Eh | |||
 | 14-Nov-2023 | TS2_ts_PdClAllyl_sqpl_f_r | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2SVP | -2699.77312571; Eh | |||
 | 14-Nov-2023 | TS4P3_ts5a_cb3_fcont_r | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2SVP | -5399.55718089; Eh | |||
 | 14-Nov-2023 | TS3P2_ts4a_cb_f2_r | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2SVP | -5399.55508924; Eh | |||
 | 14-Nov-2023 | TS5_P3P1 | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2SVP | -695.388618619; Eh | |||
 | 14-Nov-2023 | TSP3P1Pd_ts_3a_5a_io_cb_f2_r_cont | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2SVP | -2587.49615581; Eh | |||
 | 14-Nov-2023 | TS1_ts_N_loss_hydrogenation_3 | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2SVP | -2453.74294985; Eh | |||
 | 14-Nov-2023 | ts_N_loss_hydrogenation_3 | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2SVP | -2453.74294985; Eh | |||
 | 14-Nov-2023 | ts3a_io_cb_f2_r | DeSnoo, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2SVP | -2587.50243720; Eh |
Results 1-10 of 20 (Search time: 0.001 seconds).
Discover
Program name
- 20 Gaussian