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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_50 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1341.36630959; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/TD-DFT Humulone_Ag_cisKeto_10 | Ieritano, Christian | Orca; 5.0.1; RELEASE | Single point | - | def2-TZVPP | -1341.37587156; 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/TD-DFT Humulone_Ag_cisKeto_62 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1341.37724219; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/DLPNO-CCSDT Humulone_Ag_cisKeto_73 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1333.38095796; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/DLPNO-CCSDT Humulone_Ag_cisKeto_69 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1333.37395989; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/TD-DFT Humulone_Ag_cisKeto_73 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1341.37968053; Eh | |||
 | 9-Jan-2023 | /Hum_Ag_cis_keto/TD-DFT Humulone_Ag_cisKeto_44 | Ieritano, Christian | Orca; 5.0.1; RELEASE | Single point | - | def2-TZVPP | -1341.38086371; 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 |
Results 111-120 of 168 (Search time: 0.001 seconds).