ArticleJournal of chemical theory and computation2008
An Integral Equation Study of the Hydrophobic Interaction between Graphene Plates.
Article in Journal of chemical theory and computation, 2008. 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.
- Influence of Temperature and Salt Concentration on the Hydrophobic Interactions of Adamantane and Hexane.The journal of physical chemistry. B · 2022Article
- Site Density Functional Theory and Structural Bioinformatics Analysis of the SARS-CoV Spike Protein and hACE2 Complex.Molecules (Basel, Switzerland) · 2022Article
- Structure and thermodynamics of a 2D Lennard-Jones hexagonal fluid.Molecular simulation · 2022Article
- Contributions of higher-order proximal distribution functions to solvent structure around proteins.The Journal of chemical physics · 2021Article
- Generic Mechanism for Pattern Formation in the Solvation Shells of Buckminsterfullerene.ACS omega · 2018Article
- How Water's Properties Are Encoded in Its Molecular Structure and Energies.Chemical reviews · 2017Article
- Properties of the two-dimensional heterogeneous Lennard-Jones dimers: An integral equation study.The Journal of chemical physics · 2016Article
- A Cavity Corrected 3D-RISM Functional for Accurate Solvation Free Energies.Journal of chemical theory and computation · 2014Article
- Properties of the Lennard-Jones dimeric fluid in two dimensions: an integral equation study.The Journal of chemical physics · 2014Article
- Biomolecular electrostatics and solvation: a computational perspective.Quarterly reviews of biophysics · 2012Review
- Integral equations in the study of polar and ionic interaction site fluids.Journal of statistical physics · 2011Article
- The behavior of ions near a charged wall-dependence on ion size, concentration, and surface charge.The journal of physical chemistry. B · 2010Article
Corrections and comments
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Authors and funding
4 authors.
Funding
Abstract
The hydrophobic association of two parallel graphene sheets is studied using the 3D-RISM HNC integral equations with several theoretical methods for the solvent distribution functions. The potential of mean force is calculated to study the effects of the aqueous solvent models and methods on the plates as a function of distance. The results of several integral equations (IE) are compared to MD simulations for the same model. The 3D-IEs are able to qualitatively reproduce the nature of the solvent effects on the potential of mean force but not quantitatively. The local minima in the potential of mean force occur at distances allowing well defined layers of solvent between the plates but are not coincident with those found in simulation of the same potential regardless of the theoretical methods tested here. The dewetting or drying transition between the plates is generally incorrectly dependent on steric effects with these methods even for very hydrophobic systems without solute-solvent attractions, in contradiction with simulation.
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.