The DOI matches its Crossref record; 81 of the 81 references it cites were found in a registry or an index.
Discrete path sampling
Abstract
A theoretical framework is developed for the calculation of rate constants by sampling connected pathways composed of local minima and transition states that link them together. The theory is applicable to two-state or effective two-state systems and is applied to permutational or morphological isomerization in a two-dimensional cluster of seven Lennard-Jones atoms, water clusters containing eight and nine molecules, and a cluster of 38 Lennard-Jones atoms, which exhibits a double funnel energy landscape.
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
Comparison of simple potential functions for simulating liquid water
Jorgensen, W. L., Chandrasekhar, J., Madura, J. D., Impey, R. W., & Klein, M. L. (1983) · The Journal of Chemical Physics · doi:10.1063/1.445869 · Cited by 41,298
Horn, R. A., & Johnson, C. R. (1985) · Cited by 22,203
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
Henkelman, G., Uberuaga, B. P., & Jónsson, H. (2000) · The Journal of Chemical Physics · doi:10.1063/1.1329672 · Cited by 21,620
Horn, R. A., & Johnson, C. R. (1985) · Cambridge University Press eBooks · doi:10.1017/cbo9780511810817 · Cited by 10,280
Henkelman, G., & Jónsson, H. (2000) · The Journal of Chemical Physics · doi:10.1063/1.1323224 · Cited by 9,523
Stochastic Processes in Physics and Chemistry
(2007) · Elsevier eBooks · doi:10.1016/b978-0-444-52965-7.x5000-4 · Cited by 8,692
On the limited memory BFGS method for large scale optimization
Liu, D. C., & Nocedal, J. (1989) · Mathematical Programming · doi:10.1007/bf01589116 · Cited by 8,560
Henkelman, G., & Jónsson, H. (1999) · The Journal of Chemical Physics · doi:10.1063/1.480097 · Cited by 3,481
Wales, D. J., & Doye, J. P. K. (1997) · The Journal of Physical Chemistry A · doi:10.1021/jp970984n · Cited by 3,020
Self-citationNew Monte Carlo technique for studying phase transitions
Ferrenberg, A. M., & Swendsen, R. H. (1988) · Physical Review Letters · doi:10.1103/physrevlett.61.2635 · Cited by 2,673
Cited by
Transition networks for modeling the kinetics of conformational change in macromolecules
Noé, F., & Fischer, S. (2008) · Current Opinion in Structural Biology · doi:10.1016/j.sbi.2008.01.008 · Cited by 481
Coarse master equations for peptide folding dynamics
Buchete, N.-V., & Hummer, G. (2008) · The Journal of Physical Chemistry B · doi:10.1021/jp0761665 · Cited by 477
Hratchian, H. P., & Schlegel, H. B. (2005) · Theory and Applications of Computational Chemistry · doi:10.1016/b978-044451719-7/50053-6 · Cited by 360
Hidden complexity of free energy surfaces for peptide (protein) folding
Krivov, S. V., & Karplus, M. (2004) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0406234101 · Cited by 358
Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory
Cournia, Z., Allen, T. W., Andricioaei, I., Antonny, B., Baum, D., Brannigan, G., Buchete, N.-V., Deckman, J. T., Delemotte, L., del Val, C., et al. (2015) · The Journal of Membrane Biology · doi:10.1007/s00232-015-9802-0 · Cited by 235
Self-citation
Metadata
- Authors
- WALES, D. J.
- Venue
- Molecular Physics
- Publisher
- Informa UK Limited
- Published
- 2002-10-20
- Volume
- 100
- Issue
- 20
- Pages
- 3285-3305
- ISSN
- 0026-8976 (ISSN-L)
- 1362-3028
- OpenAlex
- W2041119019
- Cited by
- 395
- References
- 81
- FWCI
- 5.32
- 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: Discrete path sampling. https://app.cochat.ai/papers/10.1080/00268970210162691
- The paper
- WALES, D. J. (2002). Discrete path sampling. Molecular Physics. https://doi.org/10.1080/00268970210162691
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.
