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Collection's Items (Sorted by Submit Date in Descending order): 601 to 620 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_theta_CONF81_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68707339; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF82_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68706391; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF85_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68701899; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF87_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68660143; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF88_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68704485; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF89_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68137137; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68227133; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF91_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68683561; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF95_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68688624; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF96_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68668412; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF98_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68664010; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66954710; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF100_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67268315; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF101_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67279995; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF102_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67288466; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF103_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66758698; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF106_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67284384; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF108_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67265584; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66947946; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF113_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66875928; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 601 to 620 of 7773
