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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF385_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49213651; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF387_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49212334; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF39_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49035042; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF390_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.49228074; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01274574; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF418_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01635292; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF42_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01423482; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF526_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.64023166; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF627_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63914413; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF683_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63987172; Eh |
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