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Collection's Items (Sorted by Submit Date in Descending order): 201 to 220 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_beta_CONF209_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67027484; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF210_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67016754; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF212_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67292308; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF214_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66963118; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF22_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67204444; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF220_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67302146; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF221_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67292062; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF222_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67320098; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF224_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67285788; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF226_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67307462; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF227_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66959907; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67267520; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF230_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67070232; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF232_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67283436; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF233_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66977331; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF235_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67279821; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF24_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67267093; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF244_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67135521; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF249_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67135628; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67320723; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 201 to 220 of 7773
