ArticleJournal of molecular modeling2020
van der Waals potential: an important complement to molecular electrostatic potential in studying intermolecular interactions.
Article in Journal of molecular modeling, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 34 papers.
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Who cites it
34 citing papers in PubMed.
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- Multivariate covalent organic frameworks with tailored electrostatic potential promote nitrate electroreduction to ammonia in acid.Nature communications · 2025Article
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Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Electrostatics and van der Waals (vdW) interactions are two major components of intermolecular weak interactions. Electrostatic potential has been a very popular function in revealing electrostatic interaction between the system under study and other species, while the role of vdW potential was less recognized and has long been ignored. In this paper, we explicitly present definition of vdW potential, describe its implementation details, and demonstrate its important practical values by several examples. We hope this work can arouse researchers' attention to the vdW potential and promote its application in the studies of weak interactions. Calculation, visualization, and quantitative analysis of the vdW potential have been supported by our freely available code Multiwfn ( http://sobereva.com/multiwfn ).
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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.