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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Oct-2023 | opt_t-stilbene_0_1_2219706_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | frq_ic_2_5_2219616_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | frq_dfTHIO_0_1_2220290_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | frq_ic_0_1_2219975_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | frq_ts_sc-dmTHIO_2_5_2219633_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | frq_ts_ts2-ic-CH_2_5_1240164_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 22-Apr-2024 | /FeS2 fwd_frq_ts_6-5-Gp-Fe_0_5 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
| 22-Apr-2024 | /FeS2 frq_fwd_frq_ts_6-5-Fh-Fe_2_0_5 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
| 22-Apr-2024 | /FeS2 fwd_frq_ts_6-6-Fe_0_5 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
| 22-Apr-2024 | /FeS2 frq_fwd_frq_ts_6-6-Fe_2_0_5 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - |
Results 731-740 of 1133 (Search time: 0.001 seconds).
Discover
Subject
Calculation type