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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Mar-2023 | exo_THC_Ag_Iso2_15 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66392605; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso1_7 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66306798; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso1_6 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65677859; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso2_35 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71128739; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso2_19 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71305518; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso2_20 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71277699; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso2_29 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70856632; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso2_15 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71087261; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso2_16 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71083150; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso2_31 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70956961; Eh |
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- 473 cannabinoid
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- 238 DLPNO-CCSD(T)