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Collection's Items (Sorted by Submit Date in Descending order): 641 to 660 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_theta_CONF209_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67091554; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF224_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66779949; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF24_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67212554; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF27_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67052613; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF293_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67083747; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66954000; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF30_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67284593; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF31_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67319735; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF32_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67294682; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF33_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67292391; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF34_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66966651; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF36_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66954042; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF37_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67306750; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66925123; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF40_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67185643; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF41_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67183966; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF42_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67292557; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF43_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67294318; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF44_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66942468; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF45_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67323339; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 641 to 660 of 7773
