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 | METHYL_26_DICHLORONICOTINATE_1 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1395.77664515; Eh | |||
 | 31-Mar-2023 | METHYLENE_BLUE | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1182.81792455; Eh | |||
 | 31-Mar-2023 | METHIMAZOLE_5 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -664.08141596; Eh | |||
 | 31-Mar-2023 | METOBROMURON_3 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -3184.12259063; Eh | |||
 | 31-Mar-2023 | METOBROMURON_2 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -3184.12271458; Eh | |||
 | 31-Mar-2023 | METOBROMURON_1 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -3184.12889597; Eh | |||
 | 31-Mar-2023 | NICERGOLINE_1 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -3894.82035025; Eh | |||
 | 31-Mar-2023 | NICERGOLINE_2 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -3894.82167751; Eh | |||
 | 31-Mar-2023 | N_ETHYLANILINE | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -366.62061003; Eh | |||
 | 31-Mar-2023 | NICERGOLINE_4 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -3894.86174674; Eh |
Results 41-50 of 1085 (Search time: 0.002 seconds).