ArticleJournal of the American Chemical Society2020
Solvent Organization and Rate Regulation of a Menshutkin Reaction by Oriented External Electric Fields are Revealed by Combined MD and QM/MM Calculations.
Article in Journal of the American Chemical Society, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 26 papers.
What it found
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Who cites it
26 citing papers in PubMed, 87 citations in OpenAlex.
- Analytic Nuclear Gradients Including Oriented External Electric Fields in a Molecule-Fixed Frame.Journal of chemical theory and computation · 2026Article
- pyEF: A Python Framework for QM and QM/MM Atom-Wise Electric Field Analysis.Journal of chemical theory and computation · 2026Article
- Probing a Reactive Alkyne Center Aligned via a Triphenylmethane Tripod on Au(111) for Electric Field-Induced Chemistry by STM and TERS.Small (Weinheim an der Bergstrasse, Germany) · 2026Article
- Electrofreezing of Supercooled Water at -0.5 °C Induced by Al and Mg Electrodes via a Chemical Cooperative Process of "Ice-Making Species" and Electric Field.Journal of the American Chemical Society · 2025Article
- Oriented Electric Fields─Universal Catalysts.Accounts of chemical research · 2025Article
- Regulating the N-oxidation selectivity of P450BM3 monooxygenases for N-heterocycles through computer-assisted structure-guided design.Nature communications · 2025Article
- Forming Chemisorbed Single-Molecule Junctions through Loss of Stable Carbocations.Nano letters · 2025Article
- Peeling tape produces strong electric fields via stick-slip friction that drive chemical reactions.Proceedings of the National Academy of Sciences of the United States of America · 2025Article
- Massive acceleration of SChemical science · 2024Article
- Stationary External Electric Field-Mimicking the Solvent Effect on the Ground-State Tautomerism and Excited-State Proton Transfer in 8-(Benzo[d]thiazol-2-yl)quinolin-7-ol.Molecules (Basel, Switzerland) · 2024Article
- My Vision of Electric-Field-Aided Chemistry in 2050.ACS physical chemistry Au · 2024Review
- Electrostatic catalysis of a click reaction in a microfluidic cell.Nature communications · 2024Article
- Review
- Catalytic Mechanism of Collagen Hydrolysis by Zinc(II)-Dependent Matrix Metalloproteinase-1.The journal of physical chemistry. B · 2023Article
- A porphyrin-based molecular cage guided by designed local-electric field is highly selective and efficient.Chemical science · 2023Article
- Tuning Electrode Reactivity through Organometallic Complexes.ACS applied materials & interfaces · 2023Review
- Voltage-driven control of single-molecule keto-enol equilibrium in a two-terminal junction system.Nature communications · 2023Article
- Strong External Electric Fields Reduce Explosive Sensitivity: A Theoretical Investigation into the Reaction Selectivity in NHMolecules (Basel, Switzerland) · 2023Article
- Electric fields drive bond homolysis.Chemical science · 2023Article
- Effects and Influence of External Electric Fields on the Equilibrium Properties of Tautomeric Molecules.Molecules (Basel, Switzerland) · 2023Review
Corrections and comments
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Authors and funding
4 authors at 3 institutions in 3 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
When and how do external electric fields (EEFs) lead to catalysis in the presence of a (polar or nonpolar) solvent? This is the question that is addressed here using a combination of molecular dynamics (MD) simulations, quantum mechanical/molecular mechanical calculations with EEF, and quantum mechanical/(local) electric field calculations. The paper focuses on a model reaction, the Menshutkin reaction between CH
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.