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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_CONF37_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20565318; Eh | |||
 | 1-Dec-2022 | benomyl_CONF4_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20704723; Eh | |||
 | 1-Dec-2022 | benomyl_CONF47_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20844042; Eh | |||
 | 1-Dec-2022 | benomyl_CONF21_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20771944; Eh | |||
 | 1-Dec-2022 | benomyl_CONF28_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20823750; Eh | |||
 | 1-Dec-2022 | benomyl_CONF27_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20727964; Eh | |||
 | 1-Dec-2022 | benomyl_CONF26_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20776771; Eh | |||
 | 1-Dec-2022 | benomyl_CONF25_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20731086; Eh | |||
 | 1-Dec-2022 | benomyl_CONF24_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20729882; Eh | |||
 | 1-Dec-2022 | benomyl_CONF22_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20737181; Eh |
Results 201-210 of 230 (Search time: 0.001 seconds).