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DOI: 10.19061/iochem-bd-6-123
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Collection's Items (Sorted by Submit Date in Descending order): 2901 to 2920 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | imazalil_CONF9_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09649816; Eh | |||
 | 10-Feb-2022 | imazalil_CONF90_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09819791; Eh | |||
 | 10-Feb-2022 | imazalil_CONF91_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09589193; Eh | |||
 | 10-Feb-2022 | imazalil_CONF92_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09408072; Eh | |||
 | 10-Feb-2022 | imazalil_CONF99_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09255328; Eh | |||
 | 10-Feb-2022 | prothioconazole_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2100.64586922; Eh | |||
 | 10-Feb-2022 | prothioconazole_CONF14_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2100.64094387; Eh | |||
 | 10-Feb-2022 | prothioconazole_CONF15_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2100.64065020; Eh | |||
 | 10-Feb-2022 | prothioconazole_CONF4_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2100.64190375; Eh | |||
 | 10-Feb-2022 | prothioconazole_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2100.68095571; Eh | |||
 | 10-Feb-2022 | prothioconazole_CONF14_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2100.67857193; Eh | |||
 | 10-Feb-2022 | prothioconazole_CONF15_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2100.67863003; Eh | |||
 | 10-Feb-2022 | prothioconazole_CONF4_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2100.67836848; Eh | |||
 | 10-Feb-2022 | prothioconazole_CONF1_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2100.67238495; Eh | |||
 | 10-Feb-2022 | prothioconazole_CONF14_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2100.67078849; Eh | |||
 | 10-Feb-2022 | prothioconazole_CONF15_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2100.67052842; Eh | |||
 | 10-Feb-2022 | prothioconazole_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2100.67059021; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49318454; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF10_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49203209; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF101_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49186625; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2901 to 2920 of 4613
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