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PASCal: a principal axis strain calculator for thermal expansion and compressibility determination

Abstract:

This article describes a web-based tool (PASCal; principal axis strain calculator; http://pascal.chem.ox.ac.uk) designed to simplify the determination of principal coefficients of thermal expansion and compressibilities from variable-temperature and variable-pressure lattice parameter data. In a series of three case studies, PASCal is used to reanalyse previously published lattice parameter data and show that additional scientific insight is obtainable in each case. First, the two-dimensional...

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Publication status:
Published

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Publisher copy:
10.1107/S0021889812043026

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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Inorganic Chemistry
Role:
Author
Journal:
JOURNAL OF APPLIED CRYSTALLOGRAPHY
Volume:
45
Issue:
6
Pages:
1321-1329
Publication date:
2012-12-05
DOI:
EISSN:
1600-5767
ISSN:
0021-8898
URN:
uuid:3dc579a2-39a8-45e4-a4e2-d9d3e331353b
Source identifiers:
366748
Local pid:
pubs:366748

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