1993•Chemical PhysicsRequires access

Scaled ab initio force field of E- and Z-hexatriene in the S0 and T1 states

Fabrizia Negri, Giorgio Orlandi, Francesco Zerbetto, Paolo Palmieri, Riccardo Tarroni

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Key concepts: Isotopomers, Ab initio, Chemistry, Force field (fiction), Ab initio quantum chemistry methods, Raman spectroscopy, Field (mathematics), Scaling