The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
A biased Monte Carlo scheme for zeolite structure solution
Open accessAbstract
We describe a new, biased Monte Carlo scheme to determine the crystal structures of zeolites from powder diffraction data. We test the method on all publicly known zeolite materials, with success in all cases. We show that the method of parallel tempering is a powerful supplement to the biased Monte Carlo.
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Cites
Equation of State Calculations by Fast Computing Machines
Metropolis, N., Rosenbluth, A. W., Rosenbluth, M. N., Teller, A. H., & Teller, E. (1953) · The Journal of Chemical Physics · doi:10.1063/1.1699114 · Cited by 37,192
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Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Parallel tempering: Theory, applications, and new perspectives
Earl, D. J., & Deem, M. W. (2005) · Physical Chemistry Chemical Physics · doi:10.1039/b509983h · Cited by 1,313
Self-citationA 3.8-V earth-abundant sodium battery electrode
Barpanda, P., Oyama, G., Nishimura, S.-I., Chung, S.-C., & Yamada, A. (2014) · Nature Communications · doi:10.1038/ncomms5358 · Cited by 873
Crystal structure prediction from first principles
Woodley, S. M., & Catlow, R. (2008) · Nature Materials · doi:10.1038/nmat2321 · Cited by 733
New Stories of Zeolite Structures: Their Descriptions, Determinations, Predictions, and Evaluations
Li, Y., & Yu, J. (2014) · Chemical Reviews · doi:10.1021/cr500010r · Cited by 603
Metadata
- Authors
- Falcioni, M., & Deem, M. W.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1999-01-15
- Volume
- 110
- Issue
- 3
- Pages
- 1754-1766
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2168303626
- Cited by
- 315
- References
- 1
- FWCI
- 13.81
- Type
- journal article
- Language
- en
- Open access
- green
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- Falcioni, M., & Deem, M. W. (1999). A biased Monte Carlo scheme for zeolite structure solution. The Journal of Chemical Physics. https://doi.org/10.1063/1.477812
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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.
