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Collection's Items (Sorted by Submit Date in Descending order): 1461 to 1480 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fluvalinate-tau_CONF166_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13247225; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13131880; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF175_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.12948237; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF182_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13231942; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF187_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13215106; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF188_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13262118; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF189_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13235635; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13156349; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF20_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.12898895; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF205_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13435201; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF208_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13333612; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13323250; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF212_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13321258; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13251593; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF229_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13182759; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13253969; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13155495; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13125387; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.12914736; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13054591; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1461 to 1480 of 6276
