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Collection's Items (Sorted by Submit Date in Descending order): 841 to 860 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_zeta_CONF75_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65606801; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF78_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65915473; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF80_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66229703; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF81_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66136552; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF82_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66227617; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF84_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66203337; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF87_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66213932; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65599776; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF90_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66142065; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF91_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66088267; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF95_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65634168; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF98_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65609299; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF99_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66102024; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68304638; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68250507; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF102_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68669428; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF105_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68676967; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68251772; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF110_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67998498; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF111_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68637398; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 841 to 860 of 7773
