The vibrational frequencies of forsterite Mg2SiO4: an all-electron ab initio study with the CRYSTAL code
Noel, Y., Catti, M., D’Arco, Ph, Dovesi, R.
Published in Physics and chemistry of minerals (01.09.2006)
Published in Physics and chemistry of minerals (01.09.2006)
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Journal Article
Andradite−Uvarovite Solid Solutions. An ab Initio All-Electron Quantum Mechanical Simulation with the CRYSTAL06 Code
Meyer, A, D’Arco, Ph, Orlando, R, Dovesi, R
Published in Journal of physical chemistry. C (13.08.2009)
Published in Journal of physical chemistry. C (13.08.2009)
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Journal Article
Hartree-Fock geometry optimisation of periodic systems with the CRYSTAL code
CIVALLERI, B, D'ARCO, Ph, ORLANDO, R, SAUNDERS, V. R, DOVESI, R
Published in Chemical physics letters (02.11.2001)
Published in Chemical physics letters (02.11.2001)
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Journal Article
Geothermometry and geobarometry of a cummingtonite-bearing dacite from Martinique, Lesser Antilles
d'Arco, Ph, Maury, R. C., Westercamp, D.
Published in Contributions to mineralogy and petrology (01.01.1981)
Published in Contributions to mineralogy and petrology (01.01.1981)
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Journal Article
Hartree–Fock geometry optimisation of periodic systems with the C rystal code
Civalleri, B., D'Arco, Ph, Orlando, R., Saunders, V.R., Dovesi, R.
Published in Chemical physics letters (2001)
Published in Chemical physics letters (2001)
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Journal Article
A quantum mechanical investigation of the electronic and magnetic properties of CaMnO3 perovskite
FREYRIA FAVA, F, D'ARCO, P, ORLANDO, R, DOVESI, R
Published in Journal of physics. Condensed matter (13.01.1997)
Published in Journal of physics. Condensed matter (13.01.1997)
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Journal Article
A quantum mechanical investigation of the electronic and magnetic properties of perovskite
Fava, F Freyria, D'Arco, Ph, Orlando, R, Dovesi, R
Published in Journal of physics. Condensed matter (13.01.1997)
Published in Journal of physics. Condensed matter (13.01.1997)
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Journal Article
Structural and electronic properties of pyrope garnet : an ab initio study
D'Arco, Ph, Fava, F Freyria, Dovesi, R, Saunders, V R
Published in Journal of physics. Condensed matter (04.11.1996)
Published in Journal of physics. Condensed matter (04.11.1996)
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Journal Article
A quantum mechanical study of the perovskite structure type of MgSiO3
D'ARCO, Ph, SANDRONE, G, DOVESI, R, ORLANDO, R, SAUNDERS, V. R
Published in Physics and chemistry of minerals (01.12.1993)
Published in Physics and chemistry of minerals (01.12.1993)
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Conference Proceeding
Journal Article
A quantum-mechanical study of the relative stability under pressure of MgSiO3-ilmenite, MgSiO3-perovskite, and MgO-periclase+SiO2-stishovite assemblage
D'Arco, Ph, Sandrone, G., Dovesi, R., Apr, E., Saunders, V.R.
Published in Physics and chemistry of minerals (01.09.1994)
Published in Physics and chemistry of minerals (01.09.1994)
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Journal Article
Periodic Hartree-Fock study of minerals: Tetracoordinated silica polymorphs
Silvi, B., D'Arco, Ph, Saunders, V.R., Dovesi, R.
Published in Physics and chemistry of minerals (01.01.1991)
Published in Physics and chemistry of minerals (01.01.1991)
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Journal Article
Periodic Hartree-Fock study of minerals:. Teracoordinated silica polymorphs
SILVI, B, D'ARCO, Ph, SAUNDERS, V. R, DOVESI, R
Published in Physics and chemistry of minerals (1991)
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Published in Physics and chemistry of minerals (1991)
Conference Proceeding