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Collection's Items (Sorted by Submit Date in Descending order): 541 to 560 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_theta_CONF309_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68412562; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68646729; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF312_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68207470; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF316_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68449346; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF32_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68629267; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF320_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68460651; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF325_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68448353; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF327_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68464228; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF328_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68451799; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF329_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68454254; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68597611; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF332_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68444358; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF334_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68434966; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68281964; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF347_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68550254; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF348_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68189114; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68239066; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF354_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68523421; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF357_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68696392; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68302615; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 541 to 560 of 7773
