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Collection's Items (Sorted by Submit Date in Descending order): 901 to 920 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fenpropathrin_CONF437_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68434028; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF44_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68394447; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF441_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68413204; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF462_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68403344; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF464_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68459202; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF467_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68305701; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF480_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68401856; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF486_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68401610; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF493_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68372561; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68322936; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF508_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68557002; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF514_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68478968; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF521_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68460945; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF526_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68424640; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF53_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68367970; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF539_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68237604; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF54_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68363022; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF544_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68254417; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF555_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68401350; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF558_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68261609; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 901 to 920 of 6276
