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Collection's Items (Sorted by Submit Date in Descending order): 1021 to 1040 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fenvalerate_CONF32_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.63190114; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF37_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.62949443; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF38_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.62984565; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF39_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.62921237; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.63019659; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF43_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.62950575; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF45_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.63211556; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.63205148; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF52_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.62893955; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.62876025; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF73_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.62909359; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF74_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.62896284; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.62815623; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.63155792; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF93_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.62864273; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65700523; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65478144; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF100_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65726016; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF101_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65634648; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF103_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65723632; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1021 to 1040 of 6276
