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Collection's Items (Sorted by Submit Date in Descending order): 1481 to 1500 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fluvalinate-tau_CONF32_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13078474; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.12999358; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF377_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13428742; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13003781; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13016998; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13229147; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.12947872; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.12957244; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF48_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13114539; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13002520; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13115836; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF59_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13182327; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF62_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13286268; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF64_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13111862; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13059785; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13076737; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF76_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.12951212; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF86_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13129082; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF89_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13039641; Eh | |||
 | 24-Mar-2025 | Fluvalinate-tau_CONF91_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2099.13075885; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1481 to 1500 of 6276
