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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Nov-2021 | E069 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -787.53446254; Eh | |||
 | 17-Nov-2021 | E071 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -594.11896716; Eh | |||
 | 17-Nov-2021 | E072 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -653.29072723; Eh | |||
 | 17-Nov-2021 | E068 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -422.25839940; Eh | |||
 | 17-Nov-2021 | C84 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -1676.44263203; Eh | |||
 | 17-Nov-2021 | C82 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -1291.79293729; Eh | |||
 | 17-Nov-2021 | C83 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -1597.86207543; Eh | |||
 | 17-Nov-2021 | C85 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -1291.80327848; Eh | |||
 | 17-Nov-2021 | E073 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -363.06757294; Eh | |||
 | 17-Nov-2021 | E081 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -613.79820172; Eh |
Results 271-280 of 312 (Search time: 0.001 seconds).