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Collection's Items (Sorted by Submit Date in Descending order): 101 to 120 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_beta_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68429126; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68562720; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68446101; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF407_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68489451; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68452945; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF412_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68422794; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF415_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68450850; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68267581; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68444843; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF445_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68421836; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF446_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68408519; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF448_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68431464; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68555739; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF453_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68439188; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68553237; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF48_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68542316; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68296916; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68548164; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF50_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68310375; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF51_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68279110; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 101 to 120 of 7773
