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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pefurazoate_CONF838_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01987590; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF845_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01788145; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF110_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63545532; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF101_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63686476; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF97_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01447523; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF120_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63688168; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF118_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63673491; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF124_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63679415; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF174_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63906177; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF177_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63898366; Eh |
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