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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Oct-2022 | triclopyr_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1930.27714174; Eh | |||
 | 8-Oct-2022 | triclopyr_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1930.28869566; Eh | |||
 | 8-Oct-2022 | triclopyr_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1930.29407606; Eh | |||
 | 8-Oct-2022 | triclopyr_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1930.27580136; Eh | |||
 | 8-Oct-2022 | triclopyr_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1930.28996194; Eh | |||
 | 8-Oct-2022 | triclopyr_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1930.29304999; Eh | |||
 | 8-Oct-2022 | quinmerac_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1089.47282076; Eh | |||
 | 8-Oct-2022 | quinclorac_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1509.77684067; Eh | |||
 | 8-Oct-2022 | quinclorac_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1509.76138279; Eh | |||
 | 8-Oct-2022 | picloram_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1871.11620970; Eh |
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