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Collection's Items (Sorted by Submit Date in Descending order): 261 to 280 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_beta_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67243824; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF40_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67077247; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF414_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67092072; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF42_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67118118; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF43_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66988557; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF44_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67106838; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF445_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67138178; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF45_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67178775; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF453_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67204507; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF458_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67172756; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF47_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67158721; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF48_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67181197; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF49_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67003464; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF499_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66577469; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67189600; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF500_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66571533; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF502_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66577319; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF51_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66995460; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF52_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67023401; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF53_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66876778; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 261 to 280 of 7773
