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Collection's Items (Sorted by Submit Date in Descending order): 621 to 640 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fenhexamid_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1669.45670744; Eh | |||
 | 24-Mar-2025 | Fenhexamid_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1669.48120683; Eh | |||
 | 24-Mar-2025 | Fenhexamid_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1669.48090801; Eh | |||
 | 24-Mar-2025 | Fenhexamid_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1669.48100289; Eh | |||
 | 24-Mar-2025 | Fenhexamid_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1669.47152330; Eh | |||
 | 24-Mar-2025 | Fenhexamid_CONF9_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1669.47207314; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67431458; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF101_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67575967; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF102_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67481587; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF103_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67574350; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF104_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67616671; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF105_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67618269; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67466952; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF111_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67603355; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF112_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67606238; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF113_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67607500; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF114_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67376637; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF115_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67602144; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF119_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67608506; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1132.67485302; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 621 to 640 of 6276
