ArticleJournal of chemical theory and computation2026
A General Predictive and Conceptual Model for Repulsive Electronic States in Valence Ionized Molecules.
Article in Journal of chemical theory and computation, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Valence photoionization generates photoions with excess internal energy, often resulting in statistical dissociation, well described by RRKM theory. Yet, numerous small photoions with electronegative substituents (e.g., F, Cl, Br, OH) have been shown to exhibit nonstatistical behavior, undergoing direct dissociation from repulsive electronic states to yield radicals such as F
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