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Collection's Items (Sorted by Submit Date in Descending order): 1281 to 1300 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | fenpyrazamine_CONF33_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45471147; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF35_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45455038; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF46_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45384520; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF49_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45452368; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45567853; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF54_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45312604; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF55_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45398190; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF57_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45321669; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF58_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45412898; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45561359; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45534859; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45569828; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF96_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45286035; Eh | |||
 | 28-Mar-2025 | fluquinconazole_CONF3_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1983.85366066; Eh | |||
 | 28-Mar-2025 | fluquinconazole_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1983.88081146; Eh | |||
 | 28-Mar-2025 | fluquinconazole_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1983.87776213; Eh | |||
 | 28-Mar-2025 | fluquinconazole_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1983.87828823; Eh | |||
 | 28-Mar-2025 | fluquinconazole_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1983.87156395; Eh | |||
 | 28-Mar-2025 | fluquinconazole_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1983.86997095; Eh | |||
 | 28-Mar-2025 | fluquinconazole_CONF3_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1983.86999648; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1281 to 1300 of 6872
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