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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Oct-2022 | meptyldinocap_CONF1031_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15769962; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF103_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15690149; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF1014_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15558700; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF101_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15644753; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF1008_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15644878; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF10_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15744208; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15945992; Eh | |||
 | 7-Oct-2022 | fenpicoxamid_CONF360_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2141.46657382; Eh | |||
 | 7-Oct-2022 | fenpicoxamid_CONF808_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2141.47583693; Eh | |||
 | 7-Oct-2022 | fenpicoxamid_CONF755_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2141.47544624; Eh |
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- 7108 Single point