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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Mar-2023 | delta9_THC_85 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -962.77658910; 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 | |||
 | 15-Mar-2023 | CBC_190 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.82707147; Eh | |||
 | 15-Mar-2023 | CBC_1 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.82659653; Eh | |||
 | 15-Mar-2023 | CBD_39 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -962.76109097; Eh | |||
 | 15-Mar-2023 | CBD_185 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -962.75767676; Eh | |||
 | 15-Mar-2023 | CBD_277 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -962.75997087; Eh |
Results 391-400 of 473 (Search time: 0.001 seconds).
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Subject
- 473 cannabinoid
- 473 silver
Method
- 238 DLPNO-CCSD(T)