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Collection's Items (Sorted by Submit Date in Descending order): 1061 to 1080 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fenvalerate_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65532297; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF27_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65526820; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65752787; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65363441; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65513206; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65394690; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65698898; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65732499; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65734354; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65570130; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65576494; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65712605; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65265501; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65667882; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65671567; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF52_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65633574; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65471638; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65450315; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65586265; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF67_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65482337; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1061 to 1080 of 6276
