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Collection's Items (Sorted by Submit Date in Descending order): 1141 to 1160 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_zeta_CONF76_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67252859; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF78_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67278175; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF79_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67277471; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67145355; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF80_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67307451; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF81_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67306450; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF83_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67317992; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF84_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67317564; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF85_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67274219; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF86_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67281870; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF87_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67331938; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF88_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67315078; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF9_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66854598; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF91_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67298840; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF93_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67277300; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF95_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66805310; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF99_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67296456; Eh | |||
 | 26-Mar-2025 | Cyphenothrin_RR_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1210.07892426; Eh | |||
 | 26-Mar-2025 | Cyphenothrin_RR_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1210.07800466; Eh | |||
 | 26-Mar-2025 | Cyphenothrin_RR_CONF100_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1210.08248831; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1141 to 1160 of 7773
