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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-Mar-2023 | Liothyronine_2 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1828.27589780; Eh | |||
 | 31-Mar-2023 | Liothyronine_1 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1828.27068462; Eh | |||
 | 31-Mar-2023 | LIOTHYRONINE_5 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1828.27422329; Eh | |||
 | 31-Mar-2023 | LIOTHYRONINE_7 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1828.27629815; Eh | |||
 | 31-Mar-2023 | LOXAPINE_3 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1396.85140162; Eh | |||
 | 31-Mar-2023 | LOXAPINE_1 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1396.88725706; Eh | |||
 | 31-Mar-2023 | LOXAPINE_2 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1396.84450617; Eh | |||
 | 31-Mar-2023 | MECLIZINE_R_4 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1539.09230676; Eh | |||
 | 31-Mar-2023 | MECLIZINE_R_3 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1539.09067021; Eh | |||
 | 31-Mar-2023 | MECLOFENAMIC_ACID_1 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1666.19667956; Eh |
Results 21-30 of 1038 (Search time: 0.002 seconds).
Discover
Subject