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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Oct-2022 | bromacil_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3185.08820978; Eh | |||
 | 10-Oct-2022 | bromacil_CONF7_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3185.06636351; Eh | |||
 | 10-Oct-2022 | bromacil_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3185.08786124; Eh | |||
 | 10-Oct-2022 | bromacil_CONF8_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3185.06608880; Eh | |||
 | 10-Oct-2022 | bromacil_CONF7_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3185.08142981; Eh | |||
 | 10-Oct-2022 | chloranocryl_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1436.92327838; Eh | |||
 | 10-Oct-2022 | chloranocryl_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1436.92257746; Eh | |||
 | 10-Oct-2022 | bromacil_CONF6_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3185.08172275; Eh | |||
 | 10-Oct-2022 | chloranocryl_CONF8_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1436.92307713; Eh | |||
 | 10-Oct-2022 | chloranocryl_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1436.93943224; Eh |
Results 11-20 of 365 (Search time: 0.001 seconds).