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Francesco Mauri
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Journal Article

First-principles calculation of the infrared spectrum of hematite

Marc Blanchard, Michele Lazzeri, Francesco Mauri, Etienne Balan
Published: 01 July 2008
American Mineralogist (2008) 93 (7): 1019–1027.
DOI: https://doi.org/10.2138/am.2008.2813
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Journal Article

Theoretical infrared absorption coefficient of OH groups in minerals

Etienne Balan, Keith Refson, Marc Blanchard, Simon Delattre, Michele Lazzeri, Jannick Ingrin, Francesco Mauri, Kate Wright, Bjoern Winkler
Published: 01 May 2008
American Mineralogist (2008) 93 (5-6): 950–953.
DOI: https://doi.org/10.2138/am.2008.2889
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Journal Article

First-principles study of the OH-stretching modes of gibbsite

Etienne Balan, Michele Lazzeri, Guillaume Morin, Francesco Mauri
Published: 01 January 2006
American Mineralogist (2006) 91 (1): 115–119.
DOI: https://doi.org/10.2138/am.2006.1922
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Journal Article

Theoretical investigation of moganite

Ute HANTSCH, Björn WINKLER, Chris J. PICKARD, Julian D. GALE, Michele C. WARREN, Victor MILMAN, Francesco MAURI
Published: 01 January 2005
European Journal of Mineralogy (2005) 17 (1): 21–30.
DOI: https://doi.org/10.1127/0935-1221/2005/0017-0021
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Journal Article

First-principles study of OH-stretching modes in kaolinite, dickite, and nacrite

Etienne Balan, Michele Lazzeri, A. Marco Saitta, Thierry Allard, Yves Fuchs, Francesco Mauri
Published: 01 January 2005
American Mineralogist (2005) 90 (1): 50–60.
DOI: https://doi.org/10.2138/am.2005.1675
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Journal Article

The effect of radiation damage on local structure in the crystalline fraction of ZrSiO 4 : Investigating the 29 Si NMR response to pressure in zircon and reidite

Ian Farnan, Etienne Balan, Chris J. Pickard, Francesco Mauri
Published: 01 November 2003
American Mineralogist (2003) 88 (11-12): 1663–1667.
DOI: https://doi.org/10.2138/am-2003-11-1205
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Journal Article

The aperiodic states of zircon: an ab initio molecular dynamics study

Etienne Balan, Francesco Mauri, Chris J. Pickard, Ian Farnan, Georges Calas
Published: 01 November 2003
American Mineralogist (2003) 88 (11-12): 1769–1777.
DOI: https://doi.org/10.2138/am-2003-11-1217
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Journal Article

First-principles calculation of the infrared spectrum of lizardite

Etienne Balan, A. Marco Saitta, Francesco Mauri, Céline Lemaire, François Guyot
Published: 01 October 2002
American Mineralogist (2002) 87 (10): 1286–1290.
DOI: https://doi.org/10.2138/am-2002-1003
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Journal Article

First-principles modeling of the infrared spectrum of kaolinite

Etienne Balan, A. Marco Saitta, Francesco Mauri, Georges Calas
Published: 01 November 2001
American Mineralogist (2001) 86 (11-12): 1321–1330.
DOI: https://doi.org/10.2138/am-2001-11-1201
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Journal Article

First principles study of water adsorption on the (100) surface of zircon: Implications for zircon dissolution

Etienne Balan, Francesco Mauri, Jean-Pierre Muller, Georges Calas
Published: 01 July 2001
American Mineralogist (2001) 86 (7-8): 910–914.
DOI: https://doi.org/10.2138/am-2001-0715
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