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Collection's Items (Sorted by Submit Date in Descending order): 801 to 820 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fenpropathrin_CONF107_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.69662697; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF108_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.69678966; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68335156; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF101_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68447281; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF102_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68388524; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF103_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68458490; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF105_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68437123; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF108_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68452927; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF109_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68446924; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68349875; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF110_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68441919; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF114_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68347790; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF116_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68442402; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF117_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68302245; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF118_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68354781; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68340785; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF120_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68430853; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF124_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68440655; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF125_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68373428; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF130_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68372471; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 801 to 820 of 6276
