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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_CONF481_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63791311; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF493_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63914759; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF497_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63870668; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF122_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99663839; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF120_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99820379; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1429_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99771363; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF142_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99679989; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF151_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.00021153; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF920_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99904638; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF915_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99771756; Eh |
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