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Collection's Items (Sorted by Submit Date in Descending order): 1001 to 1020 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fenpropathrin_CONF935_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68175335; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF96_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68299741; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF97_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68325517; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF99_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68315735; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.63018824; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.63133593; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.62908411; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.62917757; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.63147997; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.63034319; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.62762229; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.63104024; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.63086256; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.63003052; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.63189253; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.63110811; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.63255400; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF27_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.62952614; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.63216344; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF31_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1706.62787164; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1001 to 1020 of 6276
