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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Aug-2022 | /Orca TS3B | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1405.29406478; Eh | |||
 | 22-Aug-2022 | /Orca EtOH | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -155.03371685; Eh | |||
 | 22-Aug-2022 | /Orca RuBPY+ | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1580.70574855; Eh | |||
 | 22-Aug-2022 | /Orca RuBPY | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1580.93487996; Eh | |||
 | 22-Aug-2022 | /Orca 11 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1848.00098464; Eh | |||
 | 22-Aug-2022 | /Orca 10 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1848.48925462; Eh | |||
 | 22-Aug-2022 | /Orca Ethanal | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -153.83559813; Eh | |||
 | 22-Aug-2022 | /Orca H2 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1.16091378; Eh |
Results 21-28 of 28 (Search time: 0.001 seconds).