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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): 3421 to 3440 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF159_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50956537; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF160_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51004013; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF169_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51024102; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF177_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51116493; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF178_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51117139; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF181_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51125422; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF182_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51121046; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF184_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51131205; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF187_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51100078; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF190_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51114395; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF192_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51125162; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF197_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51155139; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF2_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51203361; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF20_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50913599; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF21_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51039269; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF215_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51118121; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF216_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51136975; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF22_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50937915; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF227_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.50902925; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF229_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51117629; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3421 to 3440 of 4613
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