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Collection's Items (Sorted by Submit Date in Descending order): 1501 to 1520 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fluvalinate-tau_CONF92_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13070221; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF94_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.12968239; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF97_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13279298; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11686245; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF100_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11860762; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11798495; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11884986; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF130_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11687644; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF133_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.12045319; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF14_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11911565; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11805214; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF19_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11782652; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF21_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11909161; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF22_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11915002; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11919943; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF24_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11806906; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11862626; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11648272; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF32_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11727047; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.11694523; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1501 to 1520 of 6276
