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Collection's Items (Sorted by Submit Date in Descending order): 521 to 540 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_theta_CONF226_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68087909; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF236_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68117687; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68551638; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68518369; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF254_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68370121; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF264_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68384227; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF265_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68383269; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF27_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68252069; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68554302; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF281_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68201217; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF286_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68759584; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF289_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68443561; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68605702; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF291_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68415761; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF293_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68479945; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68347169; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF30_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68611197; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF301_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68431098; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF306_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68430532; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF308_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68752425; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 521 to 540 of 7773
