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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_cis_keto/DFT Humulone_Ag_cisKeto_26 | Ieritano, Christian | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.36532604; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/DFT Humulone_Ag_cisKeto_13 | Ieritano, Christian | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.36580158; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/DFT Humulone_Ag_cisKeto_29 | Ieritano, Christian | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.36787293; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/DFT Humulone_Ag_cisKeto_23 | Ieritano, Christian | Orca; 5.0.1; RELEASE | Geometry optimization | - | def2-TZVPP | -1341.36173127; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/DFT Humulone_Ag_cisKeto_11 | Ieritano, Christian | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1341.35157690; Eh |
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