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Elastic constants and electronic structure of alkaline-earth chalcogenides. Performances of various hamiltonians

Chemical physics letters, 2003-01, Vol.367 (3), p.430-438

2003

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Structural and vibrational properties of solid Mg(OH) 2 and Ca(OH) 2 – performances of various hamiltonians

Chemical physics letters, 2001-06, Vol.340 (3), p.362-369

2001

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Hartree–Fock and density functional calculations of the elastic constants of the alkaline-earth oxides: comparison with experiment

Solid state communications, 2000-11, Vol.116 (10), p.543-546

Lichanot, A

2000

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Comparison of elastic constants and electronic structures in the series of the alkaline-earth selenides: a quantum chemical approach

The Journal of physics and chemistry of solids, 2000-10, Vol.61 (10), p.1707-1715

2000

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Recovering experimental and theoretical electron densities in corundum using the multipolar model: IUCr Multipole Refinement Project

Acta crystallographica. Section A, Foundations of crystallography, 2001-05, Vol.57 (3), p.290-303

2001

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Compton profiles of the isoelectronic BeO and BN molecules: an ab initio study

Chemical physics letters, 1996-12, Vol.263 (6), p.767-774

1996

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Ab initio self-consistent calculations of the Compton profiles and polarizabilities of diamond and cubic boron nitride

Journal of physics. Condensed matter, 1998-01, Vol.10 (3), p.557-575

1998

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On the structural, electronic and magnetic properties of MnCr2O4 spinel

Journal of physics. Condensed matter, 1997-12, Vol.9 (48), p.10715-10724

1997

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Ab Initio Self-Consistent Calculations of the Polarizability and Related Functions of Cubic SiC

The journal of physical chemistry. B, 1999-07, Vol.103 (26), p.5441-5445

1999

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Lithium trapped-hole centre in magnesium oxide. An ab initio supercell study

The Journal of physics and chemistry of solids, 1998, Vol.59 (1), p.7-12

1998

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Heat capacities of fluoroaniline, fluorophenol and difluorobenzene in condensed phase

Thermochimica acta, 1991-04, Vol.177, p.265-272

Lichanot, A.

1991

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Ab initio calculations of elastic properties and electronic structure of calcium selenide

The Journal of physics and chemistry of solids, 2000-04, Vol.61 (4), p.603-608

2000

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Trapped-hole centres containing lithium and sodium in MgO, CaO and SrO. An ab initio supercell study

The Journal of physics and chemistry of solids, 1998-06, Vol.59 (6), p.1119-1124

1998

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LCAO-LDA calculation of Compton profiles in hexagonal BN; comparison with experiments

Journal of physics. Condensed matter, 1996-12, Vol.8 (49), p.10425-10434

1996

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Hartree–Fock and density functional calculations of the elastic constants of CaO

The Journal of physics and chemistry of solids, 2001-04, Vol.62 (4), p.661-663

2001

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Elastic properties in BeO. An ab initio Hartree-Fock calculation

Chemical physics letters, 1993-08, Vol.211 (2), p.249-254

1993

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Ab initio Hartree-Fock study of the electronic charge density of the cubic boron nitride and its comparison with experiments

Acta crystallographica. Section B, Structural science, 1996-08, Vol.52 (4), p.586-595

1996

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The B1 ⇄ B2 phase transition in alkaline-earth oxides : a comparison of ab initio Hartree-Fock and density functional calculations

Journal of physics. Condensed matter, 1998-08, Vol.10 (31), p.6897-6909

1998

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Ab Initio Calculation of the Structure Factors and Compton Profiles of Cubic Silicon Carbide

Acta crystallographica. Section A, Foundations and advances, 1998-11, Vol.54 (6-2), p.1019-1027

1998

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Ab initio Hartree-Fock study of lithium and sodium sulfides: electronic and scattering properties

Acta crystallographica. Section B, Structural science, 1994-06, Vol.50 (3), p.279-290

1994

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X-ray scattering factors of oxygen and sulfur ions: an abinitio Hartree-Fock calculation

Acta crystallographica. Section A, Foundations of crystallography, 1993-01, Vol.49 (1), p.91-97

1993

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A quantum-mechanical calculation of the dynamic structure factors of magnesium difluoride

International journal of quantum chemistry, 1996, Vol.58 (4), p.419-429

1996

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Chemical and thermodynamic properties of o-, m- and p-fluorotoluene

Thermochimica acta, 1990, Vol.158 (2), p.327-334

1990

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Electronic, magnetic structures and neutron diffraction in B 1 and B 3 phases of MnS: a density functional approach

Chemical physics letters, 2001-03, Vol.335 (5), p.449-457

2001

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Propriétés thermodynamiques en phase condensée des ortho, méta et para fluorotoluéne, crésol et toluidine

Thermochimica acta, 1990-03, Vol.158 (2), p.335-345

1990

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Elastic constants and electronic structure of alkaline-earth chalcogenides. Performances of various hamiltonians

Structural and vibrational properties of solid Mg(OH) 2 and Ca(OH) 2 – performances of various hamiltonians

Hartree–Fock and density functional calculations of the elastic constants of the alkaline-earth oxides: comparison with experiment

Comparison of elastic constants and electronic structures in the series of the alkaline-earth selenides: a quantum chemical approach

Recovering experimental and theoretical electron densities in corundum using the multipolar model: IUCr Multipole Refinement Project

Compton profiles of the isoelectronic BeO and BN molecules: an ab initio study

Ab initio self-consistent calculations of the Compton profiles and polarizabilities of diamond and cubic boron nitride

On the structural, electronic and magnetic properties of MnCr2O4 spinel

Ab Initio Self-Consistent Calculations of the Polarizability and Related Functions of Cubic SiC

Lithium trapped-hole centre in magnesium oxide. An ab initio supercell study

Heat capacities of fluoroaniline, fluorophenol and difluorobenzene in condensed phase

Ab initio calculations of elastic properties and electronic structure of calcium selenide

Trapped-hole centres containing lithium and sodium in MgO, CaO and SrO. An ab initio supercell study

LCAO-LDA calculation of Compton profiles in hexagonal BN; comparison with experiments

Hartree–Fock and density functional calculations of the elastic constants of CaO

Elastic properties in BeO. An ab initio Hartree-Fock calculation

Ab initio Hartree-Fock study of the electronic charge density of the cubic boron nitride and its comparison with experiments

The B1 ⇄ B2 phase transition in alkaline-earth oxides : a comparison of ab initio Hartree-Fock and density functional calculations

Ab Initio Calculation of the Structure Factors and Compton Profiles of Cubic Silicon Carbide

Ab initio Hartree-Fock study of lithium and sodium sulfides: electronic and scattering properties

X-ray scattering factors of oxygen and sulfur ions: an abinitio Hartree-Fock calculation

A quantum-mechanical calculation of the dynamic structure factors of magnesium difluoride

Chemical and thermodynamic properties of o-, m- and p-fluorotoluene

Electronic, magnetic structures and neutron diffraction in B 1 and B 3 phases of MnS: a density functional approach

Propriétés thermodynamiques en phase condensée des ortho, méta et para fluorotoluéne, crésol et toluidine

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