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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_Iso3_1 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66877855; Eh | |||
![]() | 15-Mar-2023 | exo_THC_Ag_Iso3_4 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66745935; Eh | |||
![]() | 15-Mar-2023 | exo_THC_Ag_Iso3_3 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66823721; Eh | |||
![]() | 15-Mar-2023 | exo_THC_Ag_Iso2_9 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66422539; Eh | |||
![]() | 15-Mar-2023 | exo_THC_Ag_Iso2_56 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70285813; Eh | |||
![]() | 15-Mar-2023 | exo_THC_Ag_Iso2_59 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70438463; Eh | |||
![]() | 15-Mar-2023 | exo_THC_Ag_Iso2_47 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70547747; Eh | |||
![]() | 15-Mar-2023 | exo_THC_Ag_Iso3_11 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70091443; Eh | |||
![]() | 15-Mar-2023 | exo_THC_Ag_Iso2_9 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71116900; Eh | |||
![]() | 15-Mar-2023 | exo_THC_Ag_Iso2_48 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70547980; Eh |
Results 141-150 of 473 (Search time: 0.001 seconds).
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- 473 cannabinoid
- 473 silver
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- 238 DLPNO-CCSD(T)