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Zinc oxide nanotubes: an ab initio investigation of their structural, vibrational, elastic, and dielectric properties

The Journal of chemical physics, 2013-06, Vol.138 (21), p.214706-214706

2013

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The vibrational frequencies of forsterite Mg2SiO4: an all-electron ab initio study with the CRYSTAL code

Physics and chemistry of minerals, 2006-09, Vol.33 (6), p.383-393

2006

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Hartree-Fock geometry optimisation of periodic systems with the CRYSTAL code

Chemical physics letters, 2001-11, Vol.348 (1-2), p.131-138

2001

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Andradite−Uvarovite Solid Solutions. An ab Initio All-Electron Quantum Mechanical Simulation with the CRYSTAL06 Code

Journal of physical chemistry. C, 2009-08, Vol.113 (32), p.14507-14511

2009

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Polarization properties of ZnO and BeO: An ab initio study through the Berry phase and Wannier functions approaches

Physical review. B, Condensed matter, 2002-01, Vol.65 (1), Article 014111

2002

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Hartree–Fock geometry optimisation of periodic systems with the C rystal code

Chemical physics letters, 2001, Vol.348 (1), p.131-138

2001

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Ab initio Study of the Telative Stability under Pressure of MgSiO3-Ilmenite, -Perovskite, and (Periclase + Stishovite)

Mineralogical magazine, 1994, Vol.58A (1), p.211-212

D'Arco, Ph

1994

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A quantum mechanical investigation of the electronic and magnetic properties of CaMnO3 perovskite

Journal of physics. Condensed matter, 1997-01, Vol.9 (2), p.489-498

1997

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Geothermometry and geobarometry of a cummingtonite-bearing dacite from Martinique, Lesser Antilles

Contributions to mineralogy and petrology, 1981-01, Vol.77 (2), p.177-184

1981

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Structural and electronic properties of pyrope garnet : an ab initio study

Journal of physics. Condensed matter, 1996-11, Vol.8 (45), p.8815-8828

1996

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A quantum mechanical investigation of the electronic and magnetic properties of perovskite

Journal of physics. Condensed matter, 1997-01, Vol.9 (2), p.489-498

1997

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Pseudopotential periodic Hartree-Fock study of the cristobalite to stishovite phase transition

Journal of molecular structure. Theochem, 1992-07, Vol.260, p.1-9

1992

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A quantum mechanical study of the perovskite structure type of MgSiO3

Physics and chemistry of minerals, 1993-12, Vol.20 (6), p.407-414

1993

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Pseudopotential periodic Hartree-Fock study of Mg2SiO4 polymorhs. olivine, modified spinel and spinel

Physics and chemistry of minerals, 1993, Vol.20 (5), p.333-340

1993

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Distribution of Eu3+ between anorthite and hydrothermal Cl-bearing fluid at 600°C and 1.3 kbar

Chemical geology, 1988-08, Vol.70 (1-2), p.159

1988

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A quantum-mechanical study of the relative stability under pressure of MgSiO3-ilmenite, MgSiO3-perovskite, and MgO-periclase+SiO2-stishovite assemblage

Physics and chemistry of minerals, 1994-09, Vol.21 (5)

1994

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Distribution of Eu 3+ between anorthite and hydrothermal Cl-bearing fluid at 600°C and 1.3 kbar

Chemical geology, 1988, Vol.70 (1), p.159-159

1988

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Pseudopotential periodic Hartree-Fock study of Mg2SiO4 polymorphs: Olivine, modified spinel and spinel

Physics and chemistry of minerals, 1993-10, Vol.20 (5), Article 333

1993

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Periodic Hartree-Fock study of minerals: Tetracoordinated silica polymorphs

Physics and chemistry of minerals, 1991-01, Vol.17 (8), p.674-680

1991

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Periodic Hartree-Fock study of minerals:. Teracoordinated silica polymorphs

Physics and chemistry of minerals, 1991, Vol.17 (8), p.674-680

1991

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Zinc oxide nanotubes: an ab initio investigation of their structural, vibrational, elastic, and dielectric properties

The vibrational frequencies of forsterite Mg2SiO4: an all-electron ab initio study with the CRYSTAL code

Hartree-Fock geometry optimisation of periodic systems with the CRYSTAL code

Andradite−Uvarovite Solid Solutions. An ab Initio All-Electron Quantum Mechanical Simulation with the CRYSTAL06 Code

Polarization properties of ZnO and BeO: An ab initio study through the Berry phase and Wannier functions approaches

Hartree–Fock geometry optimisation of periodic systems with the C rystal code

Ab initio Study of the Telative Stability under Pressure of MgSiO3-Ilmenite, -Perovskite, and (Periclase + Stishovite)

A quantum mechanical investigation of the electronic and magnetic properties of CaMnO3 perovskite

Geothermometry and geobarometry of a cummingtonite-bearing dacite from Martinique, Lesser Antilles

Structural and electronic properties of pyrope garnet : an ab initio study

A quantum mechanical investigation of the electronic and magnetic properties of perovskite

Pseudopotential periodic Hartree-Fock study of the cristobalite to stishovite phase transition

A quantum mechanical study of the perovskite structure type of MgSiO3

Pseudopotential periodic Hartree-Fock study of Mg2SiO4 polymorhs. olivine, modified spinel and spinel

Distribution of Eu3+ between anorthite and hydrothermal Cl-bearing fluid at 600°C and 1.3 kbar

A quantum-mechanical study of the relative stability under pressure of MgSiO3-ilmenite, MgSiO3-perovskite, and MgO-periclase+SiO2-stishovite assemblage

Distribution of Eu 3+ between anorthite and hydrothermal Cl-bearing fluid at 600°C and 1.3 kbar

Pseudopotential periodic Hartree-Fock study of Mg2SiO4 polymorphs: Olivine, modified spinel and spinel

Periodic Hartree-Fock study of minerals: Tetracoordinated silica polymorphs

Periodic Hartree-Fock study of minerals:. Teracoordinated silica polymorphs

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