ArticleNature communications2018
Tailoring van der Waals dispersion interactions with external electric charges.
Article in Nature communications, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
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
12 citing papers in PubMed.
- Unveiling Van Der Waals Forces and Associated Hamaker Constants Across the Nanomaterial Landscape With Advanced Atomic Force Microscopy.Small methods · 2026Review
- Accurate density functional theory for noncovalent interactions in charged systems.Science advances · 2026Article
- Noncovalent Interactions in Density Functional Theory: All the Charge Density We Do Not See.Journal of the American Chemical Society · 2025Article
- The Determination of Free Energy of Hydration of Water Ions from First Principles.Journal of chemical theory and computation · 2024Article
- Second quantization of many-body dispersion interactions for chemical and biological systems.Nature communications · 2023Article
- Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions.Journal of the American Chemical Society · 2023Article
- Optimized Quantum Drude Oscillators for Atomic and Molecular Response Properties.The journal of physical chemistry letters · 2023Article
- Molecular Interactions Induced by a Static Electric Field in Quantum Mechanics and Quantum Electrodynamics.The journal of physical chemistry letters · 2022Article
- A case of xenon inhalation therapy for respiratory failure and neuropsychiatric disorders associated with COVID-19.EXCLI journal · 2021Article
- Article
- Understanding non-covalent interactions in larger molecular complexes from first principles.The Journal of chemical physics · 2019Article
- Accurate Biomolecular Simulations Account for Electronic Polarization.Frontiers in molecular biosciences · 2019Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
2 authors.
Funding
Abstract
van der Waals (vdW) dispersion interactions strongly impact the properties of molecules and materials. Often, the description of vdW interactions should account for the coupling with pervasive electric fields, stemming from membranes, ionic channels, liquids, or nearby charged functional groups. However, this quantum-mechanical effect has been omitted in atomistic simulations, even in widely employed electronic-structure methods. Here, we develop a model and study the effects of an external charge on long-range vdW correlations. We show that a positive external charge stabilizes dispersion interactions, whereas a negative charge has an opposite effect. Our analytical results are benchmarked on a series of (bio)molecular dimers and supported by calculations with high-level correlated quantum-chemical methods, which estimate the induced dispersion to reach up to 35% of intermolecular binding energy (4 kT for amino-acid dimers at room temperature). Our analysis bridges electrostatic and electrodynamic descriptions of intermolecular interactions and may have implications for non-covalent reactions, exfoliation, dissolution, and permeation through biological membranes.
Identifiers
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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.