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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Nov-2021 | E044 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -797.28328450; Eh | |||
 | 17-Nov-2021 | E043 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -559.41906701; Eh | |||
 | 17-Nov-2021 | E051 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -956.43947621; Eh | |||
 | 17-Nov-2021 | E054 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -740.06783505; Eh | |||
 | 17-Nov-2021 | E052 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -499.45678104; Eh | |||
 | 17-Nov-2021 | E053 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -661.46310465; Eh | |||
 | 17-Nov-2021 | E060 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -464.93754565; Eh | |||
 | 17-Nov-2021 | E058 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -543.55029890; Eh | |||
 | 17-Nov-2021 | E061 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -306.52181116; Eh | |||
 | 17-Nov-2021 | E059 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -476.19721801; Eh |
Results 161-170 of 198 (Search time: 0.001 seconds).
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- 198 Orca
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- 198 Single point