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Collection's Items (Sorted by Submit Date in Descending order): 2381 to 2400 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Permethrin_cis_CONF47_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42132029; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF48_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42096367; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42453633; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF50_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42100571; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF52_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42106695; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF54_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42142255; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF55_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42598468; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF57_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42114717; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF58_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42611384; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF59_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42267620; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42390671; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF60_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42501898; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF61_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42531761; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF63_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42517194; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF64_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42520258; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF65_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.41850427; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF66_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42155641; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF67_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42495313; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF68_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.41868759; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF69_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42451120; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2381 to 2400 of 6276
