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. |
---|---|---|---|---|---|---|---|---|---|---|---|
9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_9 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.34923132; Eh | ||||
9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_8 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.35380663; Eh | ||||
9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_82 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.22344597; Eh | ||||
9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_81 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.26855221; Eh | ||||
9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_80 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.19233363; Eh | ||||
9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_7 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.34721786; Eh | ||||
9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_79 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.21160511; Eh | ||||
9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_78 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.35072897; Eh | ||||
9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_77 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.25800698; Eh | ||||
9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_76 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.17692721; Eh |
Results 41-50 of 128 (Search time: 0.001 seconds).