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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Jan-2023 | /Hum_Ag_cis_keto/TD-DFT Humulone_Ag_cisKeto_57 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1341.37515542; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/TD-DFT Humulone_Ag_cisKeto_42 | Ieritano, Christian | Orca; 5.0.1; RELEASE | Single point | - | def2-TZVPP | -1341.37718094; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/TD-DFT Humulone_Ag_cisKeto_29 | Ieritano, Christian | Orca; 5.0.1; RELEASE | Single point | - | def2-TZVPP | -1341.37707615; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/DLPNO-CCSDT Humulone_Ag_cisKeto_8 | Ieritano, Christian | Orca; 5.0.1; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1333.39936818; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/DLPNO-CCSDT Humulone_Ag_cisKeto_67 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1333.37162136; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/DLPNO-CCSDT Humulone_Ag_cisKeto_65 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1333.38330832; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/DLPNO-CCSDT Humulone_Ag_cisKeto_62 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1333.38003610; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/DLPNO-CCSDT Humulone_Ag_cisKeto_55 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1333.38140580; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/TD-DFT Humulone_Ag_cisKeto_54 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1341.37663676; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/DLPNO-CCSDT Humulone_Ag_cisKeto_9 | Ieritano, Christian | Orca; 5.0.1; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1333.39748169; Eh |
Results 131-140 of 168 (Search time: 0.001 seconds).