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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_CONF892_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99752606; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF452_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01524602; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF438_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01645160; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF587_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01690720; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF58_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01491729; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF55_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01586795; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF57_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01546086; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF597_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01210706; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF61_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01608267; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF663_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01694377; Eh |
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