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Collection's Items (Sorted by Submit Date in Descending order): 2621 to 2640 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Permethrin_trans_CONF170_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45014610; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF172_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44737828; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF176_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44720940; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44958000; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF184_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44992038; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF188_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45013468; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44709833; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF190_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44956688; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44550083; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF203_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44989817; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF205_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45002166; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44607955; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF213_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45031410; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF215_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45005270; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45005037; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF221_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45033281; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF223_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45020394; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF244_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45043645; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF246_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45053153; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF248_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45011931; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2621 to 2640 of 6276
