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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_CONF421_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63821726; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF422_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.64016905; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF439_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63939590; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF115_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99755146; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1179_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99608183; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF131_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99557363; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF132_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99724746; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF148_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99643353; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF149_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99644212; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF15_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99792365; Eh |
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