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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_CONF89_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99667669; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF424_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01626206; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF90_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1164.99694419; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF514_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01668144; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF51_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01515921; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF596_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01219058; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF595_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01832209; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF64_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01596929; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF65_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01582839; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF768_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01628753; Eh |
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