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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Oct-2022 | chloranocryl_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1436.93984163; Eh | |||
 | 10-Oct-2022 | chloranocryl_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1436.93230518; Eh | |||
 | 10-Oct-2022 | chloranocryl_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1436.93249324; Eh | |||
 | 10-Oct-2022 | chloranocryl_CONF3_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1436.93189664; Eh | |||
 | 10-Oct-2022 | chloridazon_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1085.60060771; Eh | |||
 | 10-Oct-2022 | chlorotoluron_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1033.90962282; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.82600608; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF4_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.82604057; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF6_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.82098326; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.84899240; Eh |
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