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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_CONF721_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01802306; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF762_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01673516; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF75_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01551035; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF879_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01676650; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF86_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01582716; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF889_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01777163; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF929_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01497653; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF93_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01492509; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF116_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63695059; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF163_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.63507821; Eh |
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