The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Free energy, entropy, and internal energy of hydrophobic interactions: Computer simulations
Abstract
Hydrophobic interactions are investigated by molecular dynamics computer simulations of the free energy, entropy, and internal energy of association of two methane molecules in water. Recently we reported a computer simulation calculation of the entropy of association of methane in water [J. Am. Chem. Soc. 114, 5875 (1992)], where entropy drives nonpolar solutes together at short distances. Here this method is compared with two other general methods for the calculation of the entropic contribution to the free energy. The calculated thermodynamic quantities for methane association are in good agreement with available experimental measurements. Solute contact configurations are found to be of greater importance than solvent-separated configurations, in conflict with earlier theoretical and simulation studies of similar systems. In some cases, this conflict may be understood in terms of differences in the assumed, model intermolecular potential energies.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Cited by
A View of the Hydrophobic Effect
Southall, N. T., Dill, K. A., & Haymet, A. D. J. (2002) · The Journal of Physical Chemistry B · doi:10.1021/jp015514e · Cited by 913
Self-citationHydrophobic hydration from small to large lengthscales: Understanding and manipulating the crossover
Rajamani, S., Truskett, T. M., & Garde, S. (2005) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0504089102 · Cited by 300
On the Mechanism of Hydrophobic Association of Nanoscopic Solutes
Choudhury, N., & Pettitt, B. M. (2005) · Journal of the American Chemical Society · doi:10.1021/ja0441817 · Cited by 292
Metadata
- Authors
- Smith, D. E., & Haymet, A. D. J.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1993-04-15
- Volume
- 98
- Issue
- 8
- Pages
- 6445-6454
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2089032833
- Cited by
- 270
- References
- 1
- FWCI
- 8.92
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: Free energy, entropy, and internal energy of hydrophobic interactions: Computer simulations. https://app.cochat.ai/papers/10.1063/1.464809
- The paper
- Smith, D. E., & Haymet, A. D. J. (1993). Free energy, entropy, and internal energy of hydrophobic interactions: Computer simulations. The Journal of Chemical Physics. https://doi.org/10.1063/1.464809
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
