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Mechanical properties, electronic structure and bonding of α- and β-tricalcium phosphates with surface characterization

Acta biomaterialia, 2010-09, Vol.6 (9), p.3763-3771

2010

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Role of interatomic bonding in the mechanical anisotropy and interlayer cohesion of CSH crystals

Cement and concrete research, 2013-10, Vol.52, p.123-130

2013

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Harmonic analysis of ferroelectric polarization dynamics simulated by a second-order Landau model

Ferroelectrics, 2018-10, Vol.535 (1), p.72-81

2018

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Ab initio studies of Mo-based alloys: Mechanical, elastic, and vibrational properties

Intermetallics, 2013-07, Vol.38, p.116-125

2013

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Intrinsic Mechanical Properties of 20 MAX-Phase Compounds

Journal of the American Ceramic Society, 2013-07, Vol.96 (7), p.2292-2297

2013

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Electronic structure and bonding of intergranular glassy films in polycrystalline Si3N4 : Ab initio studies and classical molecular dynamics simulations

Physical review. B, Condensed matter and materials physics, 2005-06, Vol.71 (23), p.235317.1-235317.10

2005

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Ab initio elastic properties and tensile strength of crystalline hydroxyapatite

Acta biomaterialia, 2009-10, Vol.5 (8), p.3067-3075

2009

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Spectroscopic imaging of electron energy loss spectra using ab initio data and function field visualization

Ultramicroscopy, 2009-11, Vol.109 (12), p.1472-1478

2009

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Mechanical Properties and Electronic Structure of Mullite Phases Using First-Principles Modeling

Journal of the American Ceramic Society, 2012-07, Vol.95 (7), p.2075-2088

2012

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Electronic structure and bonding in calcium apatite crystals: Hydroxyapatite, fluorapatite, chlorapatite, and bromapatite

Physical review. B, Condensed matter and materials physics, 2004-10, Vol.70 (15), p.155104.1-155104.8, Article 155104

2004

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Electronic structure, mechanical, and optical properties of CaO·Al2O3 system: a first principles approach

Indian journal of physics, 2016-08, Vol.90 (8), p.917-929

2016

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The electronic structure and chemical bonding of vitamin B12

Europhysics letters, 2003-05, Vol.62, p.582

2003

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Complex nonlinear deformation of nanometer intergranular glassy films in beta-Si3N4

Physical review letters, 2005-12, Vol.95 (25), p.256103-256103

2005

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Characterizing CA2 and CA6 using ELNES

Journal of solid state chemistry, 2010-08, Vol.183 (8), p.1776-1784

2010

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Electronic structure, mechanical, and optical properties of CaO·Al^sub 2^O3 system: a first principles approach

Indian journal of physics, 2016-08, Vol.90 (8), p.917

2016

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Electronic structure, mechanical, and optical properties of CaO.Al sub(2)O sub(3) system: a first principles approach

Indian journal of physics, 2016-08, Vol.90 (8), p.917-929

2016

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Characterizing CA{sub 2} and CA{sub 6} using ELNES

Journal of solid state chemistry, 2010-08, Vol.183 (8)

2010

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Theoretical Prediction of the Structure and Properties of Cubic Spinel Nitrides

Journal of the American Ceramic Society, 2002-01, Vol.85 (1), p.75-80

2002

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Accurate Redetermination of the X-ray Structure and Electronic Bonding in Adenosylcobalamin

Inorganic chemistry, 2004-02, Vol.43 (4), p.1235-1241

2004

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Ab initio theoretical tensile test on Y-doped Σ = 3 grain boundary in α-Al2O3

Acta materialia, 2005, Vol.53 (2), p.403-410

2005

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Direct evidence of electron spin polarization from an organic-based magnet: [ Fe II ( TCNE ) ( NCMe ) 2 ] [ Fe III Cl 4 ]

Physical review. B, Condensed matter and materials physics, 2009-05, Vol.79 (19), Article 195202

2009

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Ab initio ELNES/XANES spectral calculation of polar and non-polar grain boundaries in β-SiC

Acta materialia, 2004-06, Vol.52 (10), p.3009-3018

2004

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Characterizing CA 2 and CA 6 using ELNES

Journal of solid state chemistry, 2010, Vol.183 (8), p.1776-1784

2010

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Ab initio modeling of clean and Y-doped grain boundaries in alumina and intergranular glassy films (IGF) in β-Si3N4

Journal of materials science, 2006-08, Vol.41 (16), p.5061-5067

2006

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Spectral analysis of the electronic structure of γ-B28

Journal of superhard materials, 2011-12, Vol.33 (6), p.394-400

2011

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Mechanical properties, electronic structure and bonding of α- and β-tricalcium phosphates with surface characterization

Role of interatomic bonding in the mechanical anisotropy and interlayer cohesion of CSH crystals

Harmonic analysis of ferroelectric polarization dynamics simulated by a second-order Landau model

Ab initio studies of Mo-based alloys: Mechanical, elastic, and vibrational properties

Intrinsic Mechanical Properties of 20 MAX-Phase Compounds

Electronic structure and bonding of intergranular glassy films in polycrystalline Si3N4 : Ab initio studies and classical molecular dynamics simulations

Ab initio elastic properties and tensile strength of crystalline hydroxyapatite

Spectroscopic imaging of electron energy loss spectra using ab initio data and function field visualization

Mechanical Properties and Electronic Structure of Mullite Phases Using First-Principles Modeling

Electronic structure and bonding in calcium apatite crystals: Hydroxyapatite, fluorapatite, chlorapatite, and bromapatite

Electronic structure, mechanical, and optical properties of CaO·Al2O3 system: a first principles approach

The electronic structure and chemical bonding of vitamin B12

Complex nonlinear deformation of nanometer intergranular glassy films in beta-Si3N4

Characterizing CA2 and CA6 using ELNES

Electronic structure, mechanical, and optical properties of CaO·Al^sub 2^O3 system: a first principles approach

Electronic structure, mechanical, and optical properties of CaO.Al sub(2)O sub(3) system: a first principles approach

Characterizing CA{sub 2} and CA{sub 6} using ELNES

Theoretical Prediction of the Structure and Properties of Cubic Spinel Nitrides

Accurate Redetermination of the X-ray Structure and Electronic Bonding in Adenosylcobalamin

Ab initio theoretical tensile test on Y-doped Σ = 3 grain boundary in α-Al2O3

Direct evidence of electron spin polarization from an organic-based magnet: [ Fe II ( TCNE ) ( NCMe ) 2 ] [ Fe III Cl 4 ]

Ab initio ELNES/XANES spectral calculation of polar and non-polar grain boundaries in β-SiC

Characterizing CA 2 and CA 6 using ELNES

Ab initio modeling of clean and Y-doped grain boundaries in alumina and intergranular glassy films (IGF) in β-Si3N4

Spectral analysis of the electronic structure of γ-B28

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