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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
19-Mar-2024 | /RMS-CASPT2/optimizations heptazine_optS0 | Pires-Valverde, Danillo | Molcas; 22.06 | Geometry optimization | HF; HF; CASPT2 | DEF2-SVP | - |
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