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Collection's Items (Sorted by Submit Date in Descending order): 1021 to 1040 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | fenhexamid_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1669.48063644; Eh | |||
 | 28-Mar-2025 | fenhexamid_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1669.47963462; Eh | |||
 | 28-Mar-2025 | fenhexamid_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1669.47151888; Eh | |||
 | 28-Mar-2025 | fenhexamid_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1669.47245994; Eh | |||
 | 28-Mar-2025 | fenhexamid_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1669.47168320; Eh | |||
 | 28-Mar-2025 | fenhexamid_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1669.47085622; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.52557736; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.52640655; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.52651490; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.52484418; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.53033814; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.52591896; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.53088936; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF25_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.53017174; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.53031560; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF28_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.53084038; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.52600414; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF32_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.53032598; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.52642583; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF61_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.52987903; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1021 to 1040 of 6872
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