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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Dec-2022 | benomyl_CONF29_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20728668; Eh | |||
 | 1-Dec-2022 | benomyl_CONF23_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20780268; Eh | |||
 | 1-Dec-2022 | benomyl_CONF10_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20692562; Eh | |||
 | 1-Dec-2022 | benomyl_CONF84_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.18563049; Eh | |||
 | 1-Dec-2022 | benomyl_CONF72_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.18699807; Eh | |||
 | 1-Dec-2022 | benomyl_CONF83_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.18564037; Eh | |||
 | 1-Dec-2022 | benomyl_CONF82_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.18571941; Eh | |||
 | 1-Dec-2022 | benomyl_CONF81_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.18563018; Eh | |||
 | 1-Dec-2022 | benomyl_CONF66_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.18703545; Eh | |||
 | 1-Dec-2022 | benomyl_CONF7_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.18615682; Eh |
Results 211-220 of 230 (Search time: 0.001 seconds).