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Collection's Items (Sorted by Submit Date in Descending order): 1421 to 1440 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Flumethrin_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2380.99650021; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10219731; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF100_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10063606; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF115_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10363269; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10127504; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF133_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10639672; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10279386; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF147_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10623157; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF151_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10598598; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF166_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10423664; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10341500; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF205_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10609019; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10447133; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10227065; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10219085; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10312056; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF25_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10320739; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10252773; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF28_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.09981355; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10205839; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1421 to 1440 of 6276
