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 | Carbofuran_0c | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -747.19631324; Eh | |||
 | 31-Mar-2023 | Carbofuran_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -747.20352761; Eh | |||
 | 31-Mar-2023 | Diethofencarb_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -902.26493801; Eh | |||
 | 31-Mar-2023 | Diethofencarb_0b | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -902.25271852; Eh | |||
 | 31-Mar-2023 | Dicrotophos_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1087.28376065; Eh | |||
 | 31-Mar-2023 | Dicrotophos_0b | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1087.27568670; Eh | |||
 | 31-Mar-2023 | Dicrotophos_0c | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1087.27893340; Eh | |||
 | 31-Mar-2023 | Fenarimol_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1760.59191758; Eh | |||
 | 31-Mar-2023 | Fenamidone_0e | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1296.15626193; Eh | |||
 | 31-Mar-2023 | Fenamidone_0d | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1296.15656906; Eh |
Results 201-210 of 279 (Search time: 0.001 seconds).
Discover
Subject