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_ic-cons_2_5_2219333_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 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 | - |
Results 511-517 of 517 (Search time: 0.001 seconds).
Discover
Subject
Method
- 280 S12g-x PBEc
- 201 4. 2. 1
- 28 DFT
- 6 OPBE
- 2 |||