Pressure-induced hydrogen bond symmetrisation in guyanaite, β-CrOOH: evidence from spectroscopy and ab initio simulations

By Jahn Sandro   Wunder Bernd   Koch-Müller Monika   Tarrieu Leïla   Pöhle Michael   Watenphul Anke   Taran Michael N.  

European Journal of Mineralogy, Vol. 24, Iss. 5, 2012-10 ,pp. : 839-850

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The Raman spectrum of diopside: a comparison between ab initio calculated and experimentally measured frequencies

By Prencipe Mauro   Mantovani Luciana   Tribaudino Mario   Bersani Danilo   Lottici Pier Paolo  

European Journal of Mineralogy, Vol. 24, Iss. 3, 2012-06 ,pp. : 457-464

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The thermoelastic properties of MgSO₄·7D₂O (epsomite) from powder neutron diffraction and ab initio calculation

By Fortes Andrew D.   Wood Ian G.   Alfredsson Maria   Vočadlo Lidunka   Knight Kevin S.  

European Journal of Mineralogy, Vol. 18, Iss. 4, 2006-08 ,pp. : 449-462

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Ab initio quantum-mechanical calculation of CaCO₃ aragonite at high pressure: thermodynamic properties and comparison with experimental data

By Ungureanu Crina Georgeta   Prencipe Mauro   Cossio Roberto  

European Journal of Mineralogy, Vol. 22, Iss. 5, 2010-10 ,pp. : 693-701

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Coexisting 3T and 2M₁ polytypes of phengite from Cima Pal (Val Savenca, western Alps): Chemical and polytypic zoning and structural characterisation

By Ivaldi Gabriella   Ferraris Giovanni   Curetti Nadia   Compagnoni Roberto  

European Journal of Mineralogy, Vol. 13, Iss. 6, 2001-11 ,pp. : 1025-1034

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