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Collection's Items (Sorted by Submit Date in Descending order): 861 to 880 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fenpropathrin_CONF238_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68429415; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF24_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68420312; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF246_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68423786; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68410245; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF256_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68449986; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF26_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68408432; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF263_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68446664; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF264_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68447643; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF270_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68430268; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF271_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68279256; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF272_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68422769; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF274_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68429399; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF28_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68405435; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF281_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68450181; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF286_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68422389; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF287_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68405657; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF29_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68415194; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF292_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68274528; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF294_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68271193; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF297_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68276499; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 861 to 880 of 6276
