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Collection's Items (Sorted by Submit Date in Descending order): 421 to 440 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_theta_CONF51_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66100117; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF53_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65941543; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF54_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65724759; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF56_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66104668; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF57_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65956524; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF59_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65969041; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66022393; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF60_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65969470; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF61_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65967402; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF62_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65951344; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF63_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66098620; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF65_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66023445; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF67_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65972483; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF68_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66006443; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF69_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66015572; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66022919; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF70_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65991901; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF72_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66031435; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF73_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66084965; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF74_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65610528; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 421 to 440 of 7773
