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Collection's Items (Sorted by Submit Date in Descending order): 2501 to 2520 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Permethrin_trans_CONF233_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42382275; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF244_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42667842; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF245_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42357353; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF246_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42683516; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF248_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42611847; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF249_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42676460; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF254_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42665324; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42386414; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF261_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42638331; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF265_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42376191; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF266_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42628902; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF269_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42438798; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF27_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42403214; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF28_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42396605; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF285_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42628191; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF286_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42334523; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF29_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42422708; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF290_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42627622; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF295_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42383918; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42612146; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2501 to 2520 of 6276
