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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_CONF356_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.16086613; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF357_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15747169; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF357_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.16272557; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF358_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15906615; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF358_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.16391403; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF35_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15777044; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF35_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.16201400; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF360_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15877622; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF360_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.16260472; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF361_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15751783; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF361_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.16249966; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF362_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15910776; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF362_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.16307376; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF363_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15779435; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF363_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.16204893; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF364_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15905226; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF364_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.16371715; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF366_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15516515; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF367_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15772926; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF367_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.16196538; Eh |