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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Nov-2021 | C43 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -3085.65724273; Eh | |||
 | 17-Nov-2021 | C42 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -2972.51881952; Eh | |||
 | 17-Nov-2021 | C44 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -3395.33485932; Eh | |||
 | 17-Nov-2021 | C52 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -3449.01093911; Eh | |||
 | 17-Nov-2021 | C51 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -3434.63912323; Eh | |||
 | 17-Nov-2021 | C50 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -3356.02877507; Eh | |||
 | 17-Nov-2021 | C49 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -1936.30274757; Eh | |||
 | 17-Nov-2021 | C60 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -2989.62246316; Eh | |||
 | 17-Nov-2021 | C57 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -3011.79723433; Eh | |||
 | 17-Nov-2021 | C59 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -3085.65334954; Eh |
Results 31-40 of 198 (Search time: 0.001 seconds).
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- 198 Orca
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- 198 Single point