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Collection's Items (Sorted by Submit Date in Descending order): 401 to 420 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_theta_CONF329_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65986162; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF33_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66037742; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF332_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65999303; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF338_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66032227; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF34_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65658730; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF340_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65835374; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF341_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66019947; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF344_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66035424; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF349_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65993932; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF352_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66001728; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF39_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65656336; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65622602; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF40_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65807273; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF41_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65817721; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF42_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66137867; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF47_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66095528; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF48_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65875077; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF49_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66088472; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65775470; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF50_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66093846; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 401 to 420 of 7773
