Woodley, SM and Sokol, AA (2012) From ergodicity to extended phase diagrams. Angew Chem Int Ed Engl , 51 (16) 3752 - 3754. 10.1002/anie.201109030.
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Abstract
Structure prediction of stable and metastable phases is put on equal footing for the first time, with a solid thermodynamical background. How to estimate the lifetime of metastable phases is demonstrated by recent groundbreaking work of Jansen, Pentin, and Schön. At the heart lies the exploration of the Gibbs free-energy landscapes and the extended phase diagrams for complex systems.
| Type: | Article |
|---|---|
| Title: | From ergodicity to extended phase diagrams. |
| Location: | Germany |
| DOI: | 10.1002/anie.201109030 |
| Language: | English |
| UCL classification: | UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry |
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