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Collection's Items (Sorted by Submit Date in Descending order): 2481 to 2500 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Permethrin_trans_CONF171_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42668358; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF172_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42363050; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF176_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42349870; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF177_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42434604; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF179_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42432871; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42578809; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF181_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42653269; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF182_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42689834; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF183_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42688933; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF184_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42678446; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF187_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42665782; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42299889; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42225362; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42148904; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF204_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42635759; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42156613; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF211_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42693254; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF213_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42694373; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF219_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42336454; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42599816; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2481 to 2500 of 6276
