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Collection's Items (Sorted by Submit Date in Descending order): 621 to 640 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_theta_CONF114_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67278127; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF117_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67280338; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67142900; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF128_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67319819; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67129871; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF130_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67294409; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF132_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67298995; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF133_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67308805; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF139_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67278693; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF14_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66987437; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF142_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67306212; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF143_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67277216; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF145_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67289878; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF147_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67009093; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66986332; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66986986; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66991133; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF172_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67049184; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF18_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67007627; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66936064; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 621 to 640 of 7773
