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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 15-Mar-2023 | CBD_Ag_Iso1_15 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70344798; Eh | |||
![]() | 15-Mar-2023 | CBD_Ag_Iso1_21 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70621879; Eh | |||
![]() | 15-Mar-2023 | CBD_Ag_Iso1_10 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70520864; Eh | |||
![]() | 15-Mar-2023 | CBD_Ag_Iso1_1 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70824562; Eh | |||
![]() | 15-Mar-2023 | CBD_Ag_Iso4_34 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70251637; Eh | |||
![]() | 15-Mar-2023 | CBD_Ag_Iso4_42 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70145350; Eh | |||
![]() | 15-Mar-2023 | CBD_Ag_Iso3_168 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.69479163; Eh | |||
![]() | 15-Mar-2023 | CBD_Ag_Iso3_171 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.69815547; Eh | |||
![]() | 15-Mar-2023 | CBD_Ag_Iso3_33 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70041266; Eh | |||
![]() | 15-Mar-2023 | CBD_Ag_Iso4_22 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.69901907; Eh |
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- 238 silver
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- 238 Single point