Article ID Journal Published Year Pages File Type
5375200 Chemical Physics 2010 6 Pages PDF
Abstract
Ionic conical intersection (CIionic) and tetra-radical conical intersection (CItetra) between the S1 state and S0 state of cyclobutadiene have been located. While CIionic is involved in the automerization, CItetra is involved in not only the automerization but also the criss-cross reaction.
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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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Tetra-radical and ionic S1/S0 conical intersections of cyclobutadiene
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