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Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_beta_CONF158_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68392727; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF159_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68467656; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF163_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68645931; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF169_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68661252; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF170_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68605987; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF172_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68389442; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF174_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68476914; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF179_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68669330; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF180_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68753160; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF181_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68589093; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF185_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68431725; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF186_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68763603; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF187_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68460131; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF188_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68421451; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68598029; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF191_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68461504; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF192_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68457326; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF195_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68656430; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF197_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68438862; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF199_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68149953; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 7773
