The DOI matches its Crossref record; 12 of the 12 references it cites were found in a registry or an index.
Novel scheme to study structural and thermal properties of continuously deformable molecules
Open accessAbstract
The authors present a method for calculating the chemical potential of arbitrary chain molecules in a computer simulation. The method is based on a generalization of Siepmann's method for calculating the chemical potential of chain molecules with a finite number of conformations. Next, the authors show that it is also possible to extend the configurational-bias Monte Carlo scheme developed recently by Siepmann and Frenkel (1992) to continuously deformable molecules. The utility of their technique for computing the chemical potential of chain molecules is demonstrated by computing the chemical potential of a fully flexible chain consisting of 10-20 segments in a moderately dense atomic fluid. Under these conditions the conventional particle-insertion schemes fail completely. In addition, they show that their novel configurational-bias Monte Carlo scheme compares favourably with conventional Monte Carlo procedures for chain molecules.
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
Some Topics in the Theory of Fluids
Widom, B. (1963) · The Journal of Chemical Physics · doi:10.1063/1.1734110 · Cited by 3,035
Panagiotopoulos, A. Z., Quirke, N., Stapleton, M., & Tildesley, D. J. (1988) · Molecular Physics · doi:10.1080/00268978800100361 · Cited by 1,166
Configurational bias Monte Carlo: a new sampling scheme for flexible chains
Siepmann, J. I., & Frenkel, D. (1992) · Molecular Physics · doi:10.1080/00268979200100061 · Cited by 1,117
Self-citationMonte Carlo Calculation of the Average Extension of Molecular Chains
Rosenbluth, M. N., & Rosenbluth, A. W. (1955) · The Journal of Chemical Physics · doi:10.1063/1.1741967 · Cited by 1,077
The pivot algorithm: A highly efficient Monte Carlo method for the self-avoiding walk
Madras, N., & Sokal, A. D. (1988) · Journal of Statistical Physics · doi:10.1007/bf01022990 · Cited by 939
‘Monte Carlo’ computer simulation of chain molecules. I
Lal, M. (1969) · Molecular Physics · doi:10.1080/00268976900100781 · Cited by 385
Macromolecular dimensions obtained by an efficient Monte Carlo method without sample attrition
Wall, F. T., & Mandel, F. (1975) · The Journal of Chemical Physics · doi:10.1063/1.431268 · Cited by 367
Computer simulations in the Gibbs ensemble
Smit, B., De Smedt, P., & Frenkel, D. (1989) · Molecular Physics · doi:10.1080/00268978900102641 · Cited by 351
Self-citationMolecular dynamics study of a polymer chain in solution
Rapaport, D. C. (1979) · The Journal of Chemical Physics · doi:10.1063/1.438770 · Cited by 211
On the Application of Widom's Test Particle Method to Homogeneous and Inhomogeneous Fluids
Heinbuch, U., & Fischer, J. (1987) · Molecular Simulation · doi:10.1080/08927028708080935 · Cited by 76
Cited by
Chen, B., Potoff, J. J., & Siepmann, J. I. (2001) · The Journal of Physical Chemistry B · doi:10.1021/jp003882x · Cited by 835
Biomolecular Modeling: Goals, Problems, Perspectives
van Gunsteren, W. F., Bakowies, D., Baron, R., Chandrasekhar, I., Christen, M., Daura, X., Gee, P., Geerke, D. P., Glättli, A., Hünenberger, P. H., et al. (2006) · Angewandte Chemie International Edition · doi:10.1002/anie.200502655 · Cited by 561
Vlugt, T. J. H., & Schenk, M. (2002) · The Journal of Physical Chemistry B · doi:10.1021/jp0263931 · Cited by 207
Metadata
- Authors
- Frenkel, D., Mooij, G. C. A. M., & Smit, B.
- Venue
- Journal of Physics: Condensed Matter
- Publisher
- IOP Publishing
- Published
- 1992-03-23
- Volume
- 4
- Issue
- 12
- Pages
- 3053-3076
- ISSN
- 0953-8984 (ISSN-L)
- 1361-648X
- OpenAlex
- W1971165867
- Cited by
- 462
- References
- 12
- FWCI
- 15.25
- Type
- journal article
- Language
- en
- Open access
- bronze
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: Novel scheme to study structural and thermal properties of continuously deformable molecules. https://app.cochat.ai/papers/10.1088/0953-8984/4/12/006
- The paper
- Frenkel, D., Mooij, G. C. A. M., & Smit, B. (1992). Novel scheme to study structural and thermal properties of continuously deformable molecules. Journal of Physics: Condensed Matter. https://doi.org/10.1088/0953-8984/4/12/006
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.
