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. |
---|---|---|---|---|---|---|---|---|---|---|---|
28-Nov-2020 | ybtrensal_xrd_xmscaspt2 | Kragskow, Jon | Molcas; 18.09 | Single point | CASSCF; CASPT2; RASSI | ANO-RCC | - | ||||
28-Nov-2020 | ybtrensal_opt_xmscaspt2 | Kragskow, Jon | Molcas; 19.11 | Single point | CASSCF; CASPT2; RASSI | ANO-RCC | - | ||||
6-Dec-2023 | pt2_9e13o_1D | Vlaisavljevich, Bess | Molcas; 23.02 | Single point | CASSCF; CASPT2 | ANO-RCC | - | ||||
6-Dec-2023 | pt2_9e13o_1Q | Vlaisavljevich, Bess | Molcas; 23.02 | Single point | CASSCF; CASPT2 | ANO-RCC | - | ||||
6-Dec-2023 | pt2_9e13o_1Q | Vlaisavljevich, Bess | Molcas; 23.02 | Single point | CASSCF; CASPT2 | ANO-RCC | - | ||||
6-Dec-2023 | pt2_9e13o_1D | Vlaisavljevich, Bess | Molcas; 23.02 | Single point | CASSCF; CASPT2 | ANO-RCC | - | ||||
6-Dec-2023 | pt2_9e13o_1D | Vlaisavljevich, Bess | Molcas; 23.02 | Single point | CASSCF; CASPT2 | ANO-RCC | - | ||||
6-Dec-2023 | pt2_9e18o_1Q | Vlaisavljevich, Bess | Molcas; 23.02 | Single point | CASSCF; CASPT2 | ANO-RCC | - | ||||
6-Dec-2023 | pt2_9e13o_1Q | Vlaisavljevich, Bess | Molcas; 23.02 | Single point | CASSCF; CASPT2 | ANO-RCC | - | ||||
6-Dec-2023 | minus-0_05 | Vlaisavljevich, Bess | Molcas; 23.02 | Single point | CASSCF; CASPT2 | ANO-RCC | - |
Results 1-10 of 99 (Search time: 0.001 seconds).
Discover
Subject
Method
- 2 RASSI