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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
10-Aug-2022 | /Theozyme_G16 Theozyme_TS-9 | Soysal, Esra Nur | Gaussian; 16; EM64L-G16RevA.03 | Single point TS | RmPW1PW91 | 6-31+G(D,P) | - |
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