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Collection's Items (Sorted by Submit Date in Descending order): 2561 to 2580 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Permethrin_trans_CONF58_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42651137; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF59_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42657629; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42573335; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF60_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42642688; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF61_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42453262; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF63_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42576938; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF65_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42590986; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF66_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42615372; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF67_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42577803; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF69_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42589256; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42592522; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF71_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42343117; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF74_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42269110; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF75_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42225278; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF77_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42663897; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF78_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42623575; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF79_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42655338; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42635165; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF80_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42617667; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF82_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42558698; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2561 to 2580 of 6276
