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| 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_75 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.29798347; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_74 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.27290248; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_73 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.20390994; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_72 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.37844510; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_71 | Ieritano, Christian | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.35737454; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_6 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.33743245; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_69 | Ieritano, Christian | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.35283389; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_62 | Ieritano, Christian | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.35325297; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_61 | Ieritano, Christian | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.35729690; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_5 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.32471871; Eh |
Results 51-60 of 128 (Search time: 0.002 seconds).