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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
15-Mar-2023 | CBG_27 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -970.03409226; Eh | ||||
15-Mar-2023 | CBG_1 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -970.03396289; Eh | ||||
15-Mar-2023 | CBG_Ag_50 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1116.87866587; Eh | ||||
15-Mar-2023 | delta8_THC_119 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85566229; Eh | ||||
15-Mar-2023 | delta8_THC_146 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85652234; Eh | ||||
15-Mar-2023 | delta8_THC_1 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85943093; Eh | ||||
15-Mar-2023 | exo_THC_137 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.84802527; Eh | ||||
15-Mar-2023 | exo_THC_19 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85244258; Eh | ||||
15-Mar-2023 | exo_THC_17 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85265080; Eh | ||||
15-Mar-2023 | exo_THC_1 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85372027; Eh |
Results 181-190 of 220 (Search time: 0.001 seconds).
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- 220 cannabinoid
- 220 THC
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- 220 Orca