The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Development of a simple, self-consistent polarizable model for liquid water
Abstract
The charge-on-spring method is used to develop a rigid, three-site, polarizable water model, a noniterative and a self-consistent version. In this method, the polarizability is taken into account by a variable separation of charges on selected polarizable centers. One of the pair of polarization charges resides on a polarizable center, while the other one is treated as an additional particle attached to the polarizable center by a parabolic restraint potential. The separation is calculated in response to the instantaneous electric field. We parametrized two models which are based on noniterative and self-consistent versions of the method, respectively. We computed several liquid-phase and gas-phase properties and compared with data available from experiment and ab initio calculations. The condensed-phase properties of both models are in reasonable accord with experiment, apart from discrepancies in electrostatic properties consistent with a slightly too large liquid-state dipole.
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
GROMACS: Fast, flexible, and free
Van Der Spoel, D., Lindahl, E., Hess, B., Groenhof, G., Mark, A. E., & Berendsen, H. J. C. (2005) · Journal of Computational Chemistry · doi:10.1002/jcc.20291 · Cited by 19,182
QM/MM Methods for Biomolecular Systems
Senn, H. M., & Thiel, W. (2009) · Angewandte Chemie International Edition · doi:10.1002/anie.200802019 · Cited by 2,684
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew
Horn, H. W., Swope, W. C., Pitera, J. W., Madura, J. D., Dick, T. J., Hura, G. L., & Head-Gordon, T. (2004) · The Journal of Chemical Physics · doi:10.1063/1.1683075 · Cited by 2,121
Force Fields for Protein Simulations
Ponder, J. W., & Case, D. A. (2003) · Advances in Protein Chemistry · doi:10.1016/s0065-3233(03)66002-x · Cited by 1,903
A potential model for the study of ices and amorphous water: TIP4P/Ice
Abascal, J. L. F., Sanz, E., García Fernández, R., & Vega, C. (2005) · The Journal of Chemical Physics · doi:10.1063/1.1931662 · Cited by 1,627
Metadata
- Authors
- Yu, H., Hansson, T., & van Gunsteren, W. F.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2003-01-01
- Volume
- 118
- Issue
- 1
- Pages
- 221-234
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2071986884
- Cited by
- 224
- References
- 1
- FWCI
- 7.32
- 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: Development of a simple, self-consistent polarizable model for liquid water. https://app.cochat.ai/papers/10.1063/1.1523915
- The paper
- Yu, H., Hansson, T., & van Gunsteren, W. F. (2003). Development of a simple, self-consistent polarizable model for liquid water. The Journal of Chemical Physics. https://doi.org/10.1063/1.1523915
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.
