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A free energy minimisation study of the monoclinic-orthorhombic transition in MFI zeolite

Grau-Crespo, R; Acuay, E; Ruiz-Salvador, RR; (2002) A free energy minimisation study of the monoclinic-orthorhombic transition in MFI zeolite. CHEM COMMUN (21) 2544 - 2545. 10.1039/b208064h.

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Abstract

Free energy minimisation calculations of the crystal structure of the zeolite MFI are shown to reproduce the observed phase transition from monoclinic to orthorhombic symmetry.

Type: Article
Title: A free energy minimisation study of the monoclinic-orthorhombic transition in MFI zeolite
DOI: 10.1039/b208064h
Keywords: COMPUTER-SIMULATION, ZSM-5, SILICALITE, FRAMEWORK, H-ZSM-5
UCL classification: UCL > School of BEAMS > Faculty of Maths and Physical Sciences
UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry
URI: http://discovery.ucl.ac.uk/id/eprint/60270
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