Electronic states and spectroscopic parameters of the iodocarbyne cation, CI+
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DOI: 10.1016/j.cplett.2021.138514
Abstract: Abstract We present a theoretical characterization of the cation iodocarbyne, CI+, using a correlated theoretical approach (SA-CASSCF/MRCI) to describe a manifold of singlet, triplet, and quintet electronic states. Reliable potential energy curves were constructed for… read more here.
Keywords: electronic states; iodocarbyne cation; parameters iodocarbyne; spectroscopic parameters ... See more keywords