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Collection's Items (Sorted by Submit Date in Descending order): 1441 to 1460 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fluvalinate-tau_CONF35_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10173549; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10540098; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10586061; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF53_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10489548; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10516600; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF62_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10224188; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF68_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.09957540; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF78_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2099.10275632; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13054279; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF100_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13133095; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF104_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13131856; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF106_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13289588; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13109972; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF118_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.12952513; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.12801115; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF130_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13073797; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF133_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13418665; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13295911; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF143_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13073189; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF150_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13415565; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1441 to 1460 of 6276
