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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_CONF186_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01614202; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF191_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01659055; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF2097_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01652216; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF213_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01584359; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF2264_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01590902; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF2355_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01753580; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF2390_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01772286; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF25_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01456281; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF275_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01485855; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF309_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.01523466; Eh |
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