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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Sep-2022 | tolfenpyrad_CONF370_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.49695248; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF370_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.52191172; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF370_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.51178260; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF371_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.49725995; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF371_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.51179429; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF372_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.52252995; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF372_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.51249604; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF373_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.49753800; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF373_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.51109291; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF374_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.49712041; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF374_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.52184741; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF374_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.51168764; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF375_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.49703519; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF375_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.52174215; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF375_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.51096060; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF376_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.49762401; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF376_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.52267959; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF376_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.51289283; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF377_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.49677568; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF377_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.52106578; Eh |