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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2025 | epyrifenacil_CONF21_octanol | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -2285.8202617; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90423137; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF291_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90502338; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF274_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90177944; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF239_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90439375; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF197_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90359516; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF194_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90396784; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF178_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90374407; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF136_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90413225; Eh | |||
 | 13-Mar-2025 | pyraflufen-ethyl_CONF104_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2209.90348017; Eh |
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