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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Jul-2022 | 2a_TS_HAT | Besalú-Sala, Pau | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UM06L | DEF2SVP | -2470.66961972; Eh | |||
 | 2-Aug-2023 | hbtp_scholl_pm_pp_ts | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -1612.11946267; Eh | |||
 | 2-Aug-2023 | hbtp_ox_p_m_ts | Artigas, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -1688.40662029; Eh | |||
 | 18-Oct-2023 | TSA10A11 | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -3804.33608762; Eh | |||
| 18-Oct-2023 | TSA1A2 | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.79161163; Eh | |||
| 18-Oct-2023 | TSA1A2prim | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.78475570; Eh | |||
| 18-Oct-2023 | TSRedEl | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.81801356; Eh | |||
| 18-Oct-2023 | TSA5A6 | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -3060.31951620; Eh | |||
| 18-Oct-2023 | TSB63a | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.88820573; Eh | |||
| 18-Oct-2023 | TSA3A4prim | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.81959780; Eh |
Results 81-90 of 152 (Search time: 0.0 seconds).