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Collection's Items (Sorted by Submit Date in Descending order): 821 to 840 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fenpropathrin_CONF131_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68271197; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF133_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68405361; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF134_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68274085; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF138_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68427231; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF14_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68352280; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF144_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68268080; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF146_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68278465; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF150_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68284772; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF153_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68305746; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF157_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68301717; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF159_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68299855; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68366851; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF160_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68266030; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF163_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68301867; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF170_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68449111; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF173_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68376439; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF176_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68295496; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF18_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68369362; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF182_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68375173; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF188_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68398835; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 821 to 840 of 6276
