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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Nov-2021 | C63 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -2415.33822116; Eh | |||
 | 17-Nov-2021 | C62 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -1668.51000343; Eh | |||
 | 17-Nov-2021 | C64 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -2495.19728938; Eh | |||
 | 17-Nov-2021 | C70 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -2989.65232947; Eh | |||
 | 17-Nov-2021 | C71 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -3618.57269755; Eh | |||
 | 17-Nov-2021 | C73 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -3198.79807448; Eh | |||
 | 17-Nov-2021 | C72 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -1975.60445189; Eh | |||
 | 17-Nov-2021 | E001 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -1041.89126931; Eh | |||
 | 17-Nov-2021 | E002 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -1041.89127950; Eh | |||
 | 17-Nov-2021 | E003 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -661.46310103; Eh |
Results 131-140 of 198 (Search time: 0.001 seconds).
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- 198 Orca
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- 198 Single point