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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | prochloraz_CONF275_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.64128947; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF287_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.64207364; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF28_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63671943; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF351_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63971893; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF348_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63942034; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF419_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.64010218; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF456_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63911630; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF463_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63855078; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF443_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63895469; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1192_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99824196; Eh |
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