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Collection's Items (Sorted by Submit Date in Descending order): 1101 to 1120 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fenvalerate_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64288158; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64342240; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64104588; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF18_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64369213; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF19_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64369774; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64328406; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF20_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64209211; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF209_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64355049; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF22_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64304335; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64186299; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF27_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64189469; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64336685; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF34_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64191913; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF37_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64308174; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64325993; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF39_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64301542; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64230232; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF43_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64300035; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF46_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.64016145; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF48_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.63933682; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1101 to 1120 of 6276
