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Collection's Items (Sorted by Submit Date in Descending order): 781 to 800 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_zeta_CONF312_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65908394; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF316_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65889869; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF317_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65906576; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF318_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66019062; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF32_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66127958; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF320_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65883096; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF321_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66016312; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF322_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65917728; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF323_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65907397; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF324_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66007625; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF325_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65955444; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF326_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65980801; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF327_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65968802; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF33_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66142005; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF331_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65922356; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF333_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65962798; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF34_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66023572; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF343_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65974190; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF344_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65996761; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF348_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66004579; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 781 to 800 of 7773
