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Collection's Items (Sorted by Submit Date in Descending order): 821 to 840 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_zeta_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65643301; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF50_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65864919; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF51_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65878288; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF52_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66090774; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF53_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66092722; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF55_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65954845; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF56_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65717227; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF58_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65726121; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF60_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65963836; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF61_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65725639; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF62_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66128365; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF63_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65990612; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF64_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65965661; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF66_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66023143; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF69_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66029598; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66023907; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF70_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65723315; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF71_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66011255; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF72_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66034660; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF74_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65616643; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 821 to 840 of 7773
