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Collection's Items (Sorted by Submit Date in Descending order): 941 to 960 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fenpropathrin_CONF609_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68314448; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF613_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68131452; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF615_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68120565; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF616_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68323867; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF62_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68003112; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF624_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68110954; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF626_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68299191; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF628_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68300931; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF63_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68073885; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF632_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68134848; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF633_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68300378; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF635_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68298372; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF637_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68315189; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF64_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68333103; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF640_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68306470; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF647_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68305654; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF65_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68326265; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF655_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68525053; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF659_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68301483; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF67_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68319617; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 941 to 960 of 6276
