Magnetic Properties of Acenes and Their o-Quinone Derivatives: Computer Simulation
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DOI: 10.1134/s0012500818020015
Abstract: Quantum chemical study (DFT UB3LYP/6-311++G(d,p)) of the structure and properties of acenes functionalized with two o-benzoquinone groups and their complexes with sodium cations has been performed. An increase in the number of fused rings has… read more here.
Keywords: derivatives computer; quinone; magnetic properties; properties acenes ... See more keywords