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Collection's Items (Sorted by Submit Date in Descending order): 2801 to 2820 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Permethrin_trans_CONF84_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43555255; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF85_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43585603; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF86_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43252087; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF87_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43603477; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF88_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43300543; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF9_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43610344; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF93_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43612238; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF98_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43487473; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84664491; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF100_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84621067; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF101_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84607544; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF106_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84624977; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84497746; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF110_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84626736; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF113_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84533864; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF114_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84653134; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF116_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84568000; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF117_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84542769; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF118_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84605037; Eh | |||
 | 24-Mar-2025 | Phenothrin_RR_CONF119_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1117.84610592; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2801 to 2820 of 6276
