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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_CONF192_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02424393; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF191_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02539606; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF1921_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02691635; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF213_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02402111; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF401_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02475853; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF364_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02366242; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF435_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02626058; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF452_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02353501; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF496_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02413787; Eh | |||
 | 10-Feb-2022 | pefurazoate_CONF529_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1165.02553484; Eh |
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