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Collection's Items (Sorted by Submit Date in Descending order): 841 to 860 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fenpropathrin_CONF190_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68293053; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF191_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68275391; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF194_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68286595; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF195_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68322800; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68326467; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF20_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68386833; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF200_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68368243; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF201_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68298349; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF203_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68285979; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF205_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68364306; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF206_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68449627; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF207_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68295522; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF21_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68381904; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF216_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68392239; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF221_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68408627; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF228_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68298410; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68277373; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF231_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68287331; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF234_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68298325; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF236_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68385642; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 841 to 860 of 6276
