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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_10 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.33422210; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_17 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.37545215; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_11 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.36167408; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/DFT Humulone_Ag_cisKeto_71 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.28339658; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/DFT Humulone_Ag_cisKeto_67 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.19920030; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/DFT Humulone_Ag_cisKeto_62 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.20798068; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/DFT Humulone_Ag_cisKeto_70 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.32514426; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/DFT Humulone_Ag_cisKeto_63 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.20425751; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/DFT Humulone_Ag_cisKeto_8 | Ieritano, Christian | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.36597344; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/DFT Humulone_Ag_cisKeto_72 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.25384577; Eh |
Results 81-90 of 128 (Search time: 0.001 seconds).