ArticleJournal of the American Chemical Society2024
Nuclear Quantum Effects on the Nature of Hydroboration Selectivity: Experimental Effects of First-Collision Tunneling.
Article in Journal of the American Chemical Society, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
3 citing papers in PubMed.
- Nuclear Quantum Effects on the Organic Bifurcation Reaction in Microsolvated Water Clusters: Ring-Polymer Molecular Dynamics Calculations Using an Explicit Solvation Model.Journal of computational chemistry · 2026Article
- Ab Initio Molecular Dynamics Simulations for Organic Chemists─It is About Time!Journal of the American Chemical Society · 2026Review
- Nuclear Quantum Effects in the Ionic Dissociation Dynamics of HCl on the Water Ice Cluster.Molecules (Basel, Switzerland) · 2025Article
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The understanding of selectivity in reactions exhibiting nonstatistical dynamics is impeded by the limitations of trajectory studies with regard to nuclear quantum effects, especially tunneling. We described here the use of ring-polymer molecular dynamics (RPMD) to account for an unusual regiochemical isotope effect on the regioselectivity of hydroborations of alkenes with BH
Identifiers
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Registered trials
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