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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Jan-2023 | vernolate_CONF70_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -921.99250599; Eh | |||
 | 9-Feb-2023 | ethaboxam_CONF92_water | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -1634.1379432; Eh | |||
 | 27-Sep-2022 | metyltetraprole_CONF61_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1673.46865416; Eh | |||
 | 27-Sep-2022 | trifloxystrobin_CONF50_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1483.56796775; Eh | |||
 | 27-Sep-2022 | trifloxystrobin_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1483.56743618; Eh | |||
 | 25-Apr-2023 | butafenacil_CONF211_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80546559; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF243_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15672402; Eh | |||
 | 27-Sep-2022 | enoxystrobin_CONF35_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1667.46112517; Eh | |||
 | 14-Dec-2022 | spiroxamine_CONF368_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -912.31277336; Eh | |||
 | 18-Jan-2023 | butachlor_CONF152_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1328.97796527; Eh |
Results 51021-51030 of 78833 (Search time: 0.036 seconds).