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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
29-Jan-2016 | Structure_of_the_molecular_triangle_2_(ONIOM) | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | ONIOM; BP86; PM6 | 6-311G(d,p); LANL2DZ | -17.6018727927; Eh |
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