Molecular dynamics simulations of longer n-alkanes in silicalite: state-of-the-art models achieving close agreement with experiment

A. J. O'Malley; C. R. A. Catlow

doi:10.1039/C4CP04898A

Molecular dynamics simulations of longer n-alkanes in silicalite: state-of-the-art models achieving close agreement with experiment

A. J. O'Malley, C. R. A. Catlow

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

30 Citations (SciVal)

Original language	English
Pages (from-to)	1943-1948
Journal	Physical Chemistry Chemical Physics
Volume	17
Issue number	3
DOIs	https://doi.org/10.1039/C4CP04898A
Publication status	Published - 2015

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10.1039/C4CP04898A

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title = "Molecular dynamics simulations of longer n-alkanes in silicalite: state-of-the-art models achieving close agreement with experiment",

author = "O'Malley, \{A. J.\} and Catlow, \{C. R. A.\}",

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journal = "Physical Chemistry Chemical Physics",

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T1 - Molecular dynamics simulations of longer n-alkanes in silicalite: state-of-the-art models achieving close agreement with experiment

AU - O'Malley, A. J.

AU - Catlow, C. R. A.

PY - 2015

Y1 - 2015

UR - https://www.scopus.com/pages/publications/84919792989

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DO - 10.1039/C4CP04898A

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JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

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Molecular dynamics simulations of longer n-alkanes in silicalite: state-of-the-art models achieving close agreement with experiment

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Molecular dynamics simulations of longer n-alkanes in silicalite: state-of-the-art models achieving close agreement with experiment

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High Performance Computing (HPC) Facility

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