All Stories

  1. Toward a Robust Elastic Geobarometry of Kyanite Inclusions in Eclogitic Diamonds

    Article • Journal of Geophysical Research Solid Earth, August 2018, American Geophysical Union (AGU)

    Mauro Prencipe

  2. Raman spectroscopy of minerals: the case of low albite

    Article • Journal of Raman Spectroscopy, March 2015, Wiley

    Mauro Prencipe

  3. Thermodynamic study of reconstructed crystal surfaces.

    Article • Surface Science, February 2015, Elsevier

    Mauro Prencipe

  4. Full calculation of the Raman spectrum of jadeite: both frequencies and intensities

    Article • Journal of Raman Spectroscopy, June 2014, Wiley

    Mauro Prencipe

  5. Thermo-elastic properties of diamond

    Article • American Mineralogist, May 2014, GeoScienceWorld

    Mauro Prencipe

  6. The (100), (111) and (110) surfaces of diamond: anab initioB3LYP study

    Article • Molecular Physics, September 2013, Taylor & Francis

    Mauro Prencipe

  7. New Estimates of the Free Energy of Calcite/Water Interfaces for Evaluating the Equilibrium Shape and Nucleation Mechanisms

    Article • Crystal Growth & Design, February 2013, American Chemical Society (ACS)

    Mauro Prencipe

  8. Ab initio determination of the bulk modulus of the chromium nitride CrN

    Article • RSC Advances, January 2013, Royal Society of Chemistry

    Mauro Prencipe

  9. A new calculation strategy to analyze the vibrational free energy of a slab and calculate the vibrational contribution of the surface free energy

    Article • CrystEngComm, January 2013, Royal Society of Chemistry

    Mauro Prencipe

  10. First principle computations of Raman Spectra

    Article • Journal of Raman Spectroscopy, July 2012, Wiley

    Mauro Prencipe

  11. Ab initio quantum-mechanical study of the effects of the inclusion of iron on thermoelastic and thermodynamic properties of periclase (MgO)

    Article • Physics and Chemistry of Minerals, June 2012, Springer Science + Business Media

    Mauro Prencipe

  12. An Ab-initio assessment of thermo-elastic properties of CaCO3 polymorphs: Calcite case

    Article • Calphad, June 2012, Elsevier

    Mauro Prencipe

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

    Article • European Journal of Mineralogy, June 2012, Schweizerbart

    Mauro Prencipe

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

    Article • European Journal of Mineralogy, October 2010, Schweizerbart

    Mauro Prencipe

  15. Thermal expansion and compressibility of beryl

    Article • Physics and Chemistry of Minerals, September 2010, Springer Science + Business Media

    Mauro Prencipe, Dr Bartolomeo Civalleri

  16. (10.4), (01.8), (01.2), and (00.1) Twin Laws of Calcite (CaCO3): Equilibrium Geometry of the Twin Boundary Interfaces and Twinning Energy

    Article • Crystal Growth & Design, June 2010, American Chemical Society (ACS)

    Mauro Prencipe

  17. Surface reconstructions and relaxation effects in a centre-symmetrical crystal: the {00.1} form of calcite (CaCO3)

    Article • CrystEngComm, January 2010, Royal Society of Chemistry

    Mauro Prencipe

  18. Quantum-Mechanical and Thermodynamical Study on the (110) and Reconstructed (111) Faces of NaCl Crystals

    Article • Crystal Growth & Design, February 2009, American Chemical Society (ACS)

    Mauro Prencipe

  19. Effects of non-stoichiometry on the spinel structure at high pressure: Implications for Earth’s mantle mineralogy

    Article • Geochimica et Cosmochimica Acta, January 2009, Elsevier

    Mauro Prencipe

  20. Quantum-Mechanical and Thermodynamical Study on the (100) Face of LiF Crystals

    Article • Crystal Growth & Design, December 2008, American Chemical Society (ACS)

    Mauro Prencipe

  21. Theoretical structure and surface energy of the reconstructed {01.2} form of calcite (CaCO3) crystal

    Article • Surface Science, August 2008, Elsevier

    Mauro Prencipe

  22. Structures and Surface Energies of (100) and Octopolar (111) Faces of Halite (NaCl): an Ab initio Quantum-Mechanical and Thermodynamical Study

    Article • Crystal Growth & Design, June 2008, American Chemical Society (ACS)

    Mauro Prencipe

  23. Ab initio quantum-mechanical modeling of the (001), and (110) surfaces of zabuyelite (Li2CO3)

    Article • Surface Science, July 2007, Elsevier

    Mauro Prencipe

  24. Mechanism of compressibility of crystal

    Article • Physics and Chemistry of Minerals, November 2006, Springer Science + Business Media

    Mauro Prencipe

  25. Quantum-mechanical calculation of the vibrational spectrum of beryl (Al4Be6Si12O36) at the Γ point

    Article • Physics and Chemistry of Minerals, September 2006, Springer Science + Business Media

    Mauro Prencipe, Dr Bartolomeo Civalleri

  26. Ab initio quantum-mechanical modeling of pyrophyllite [Al2Si4O10(OH)2] and talc [Mg3Si4O10(OH)2] surfaces

    Article • Physics and Chemistry of Minerals, January 2006, Springer Science + Business Media

    Mauro Prencipe

  27. Quantum-mechanical modeling of minerals at high pressures. The role of the Hamiltonian in a case study: the beryl (Al4Be6Si12O36)

    Article • Physics and Chemistry of Minerals, September 2005, Springer Science + Business Media

    Mauro Prencipe

  28. Raadeite, Mg7(PO4)2(OH)8: a new dense-packed phosphate from Modum (Norway)

    Article • European Journal of Mineralogy, April 2001, Schweizerbart

    Mauro Prencipe