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Collection's Items (Sorted by Submit Date in Descending order): 501 to 520 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_theta_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68335225; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF171_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68370267; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF172_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68381021; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF179_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68772853; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68369650; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF181_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68317948; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF183_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68382693; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF187_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68288520; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF190_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68639447; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF193_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68375410; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68284659; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF200_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68769602; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF201_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68585505; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF204_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68657876; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF208_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68675155; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF209_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68419928; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68350471; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF213_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68619174; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF216_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68664954; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF224_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68070491; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 501 to 520 of 7773
