The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
A biased grand canonical Monte Carlo method for simulating adsorption using all-atom and branched united atom models
Abstract
Configurational-bias Monte Carlo sampling techniques have been developed which overcome the difficulties of sampling configuration space efficiently for all-atom molecular models and for branched species represented with united atom models. Implementation details of this sampling scheme are discussed. The accuracy of a united atom forcefield with non-bond parameters optimized for zeolite adsorption and a widely used all-atom forcefield are evaluated by comparison with experimental sorption isotherms of linear and branched hydrocarbons.
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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
United Atom Force Field for Alkanes in Nanoporous Materials
Dubbeldam, D., Calero, S., Vlugt, T. J. H., Krishna, R., Maesen, T. L. M., & Smit, B. (2004) · The Journal of Physical Chemistry B · doi:10.1021/jp0376727 · Cited by 334
Metadata
- Authors
- MACEDONIA, M. D., & MAGINN, E. J.
- Venue
- Molecular Physics
- Publisher
- Informa UK Limited
- Published
- 1999-05-10
- Volume
- 96
- Issue
- 9
- Pages
- 1375-1390
- ISSN
- 0026-8976 (ISSN-L)
- 1362-3028
- OpenAlex
- W2151012235
- Cited by
- 171
- References
- 1
- FWCI
- 7.18
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: A biased grand canonical Monte Carlo method for simulating adsorption using all-atom and branched united atom models. https://app.cochat.ai/papers/10.1080/00268979909483082
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- MACEDONIA, M. D., & MAGINN, E. J. (1999). A biased grand canonical Monte Carlo method for simulating adsorption using all-atom and branched united atom models. Molecular Physics. https://doi.org/10.1080/00268979909483082
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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).
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