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The competition between chemical bonding and magnetism in the adsorption of atomic Ni on MgO(100)

The Journal of chemical physics, 2001-11, Vol.115 (17), p.8172-8177

2001

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Coordination of boron and phosphorous in borophosphosilicate glasses

Applied physics letters, 2003-11, Vol.83 (21), p.4312-4314

2003

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Au and Pd atoms adsorbed on pure and Ti-doped SiO2/Mo(112) films

The Journal of chemical physics, 2006-01, Vol.124 (3), p.034701-034701

2006

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Supported nickel and copper clusters on MgO(100): A first-principles calculation on the metal/oxide interface

The Journal of chemical physics, 1996-05, Vol.104 (18), p.7329-7337

1996

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Optical properties of point defects in SiO2 from time-dependent density functional theory

The Journal of chemical physics, 2002-01, Vol.116 (2), p.825-831

2002

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Adhesion energy of Cu atoms on the MgO(001) surface

The Journal of chemical physics, 1999-03, Vol.110 (10), p.4873-4879

1999

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Photoabsorption of dioxasilyrane and silanone groups at the surface of silica

The Journal of chemical physics, 2001-03, Vol.114 (10), p.4657-4662

2001

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Optical properties of surface and bulk F centers in MgO from ab initio cluster model calculations

The Journal of chemical physics, 1998-05, Vol.108 (18), p.7835-7841

1998

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Vibrational and electron paramagnetic resonance properties of free and MgO supported AuCO complexes

The Journal of chemical physics, 2006-05, Vol.124 (17), p.174709-174709-8

2006

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Electron trapping at neutral divacancy sites on the MgO surface

The Journal of chemical physics, 2002-08, Vol.117 (6), p.2844-2851

2002

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Optical properties of Cu nanoclusters supported on MgO(100)

The Journal of chemical physics, 2004-10, Vol.121 (15), p.7457-7466

2004

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Optical properties of peroxy radicals in silica: Multiconfigurational perturbation theory calculations

The Journal of chemical physics, 2001-04, Vol.114 (14), p.6259-6264

2001

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Bonding of NO to NiO(100) and NixMg1−xO(100) surfaces: A challenge for theory

The Journal of chemical physics, 2002-08, Vol.117 (5), p.2299-2306

2002

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Simplified embedding schemes for the quantum-chemical description of neutral and charged point defects in SiO2 and related dielectrics

The Journal of chemical physics, 2000-12, Vol.113 (23), p.10744-10752

2000

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Relativistic effects in the electronic structure of the monoxides and monocarbonyls of Ni, Pd, and Pt: Local and gradient-corrected density functional calculations

The Journal of chemical physics, 1995-03, Vol.102 (9), p.3695-3702

1995

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Silicon and germanium clusters: a theoretical study of their electronic structures and properties

The Journal of chemical physics, 1986-03, Vol.84 (6), p.3301-3310

1986

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Can corundum be described as an ionic oxide ?

The Journal of chemical physics, 1993-11, Vol.99 (9), p.6818-6823

1993

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Cluster calculations of CO chemisorbed on the bridge site of Pd(100)

The Journal of chemical physics, 1990-07, Vol.93 (2), p.1209-1214

1990

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Bond ionicity of the halogen-silver interaction

The Journal of chemical physics, 1989-04, Vol.90 (8), p.4287-4295

1989

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The importance of correlation effects on the bonding of atomic oxygen on Pt(111)

The Journal of chemical physics, 1996-10, Vol.105 (16), p.7192-7199

1996

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Ab initio MRD CI investigation of the optical spectra of C4 and C5 clusters

The Journal of chemical physics, 1988, Vol.88 (2), p.1066-1073

1988

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Bonding geometry and bonding character of thiocyanate adsorbed on a Ag(100) surface

The Journal of chemical physics, 1991-09, Vol.95 (6), p.4678-4684

1991

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Paramagnetism of high nuclearity metal cluster compounds as derived from local density functional calculations

The Journal of chemical physics, 1991-11, Vol.95 (9), p.7004-7007

1991

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Stability and other properties of Li13 clusters. An example of specific characteristics of clusters

The Journal of chemical physics, 1984-10, Vol.81 (8), p.3588-3593

1984

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Calculated properties of alkali metal clusters with fivefold symmetry

The Journal of chemical physics, 1984-01, Vol.80 (1), p.325-328

1984

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The competition between chemical bonding and magnetism in the adsorption of atomic Ni on MgO(100)

Coordination of boron and phosphorous in borophosphosilicate glasses

Au and Pd atoms adsorbed on pure and Ti-doped SiO2/Mo(112) films

Supported nickel and copper clusters on MgO(100): A first-principles calculation on the metal/oxide interface

Optical properties of point defects in SiO2 from time-dependent density functional theory

Adhesion energy of Cu atoms on the MgO(001) surface

Photoabsorption of dioxasilyrane and silanone groups at the surface of silica

Optical properties of surface and bulk F centers in MgO from ab initio cluster model calculations

Vibrational and electron paramagnetic resonance properties of free and MgO supported AuCO complexes

Electron trapping at neutral divacancy sites on the MgO surface

Optical properties of Cu nanoclusters supported on MgO(100)

Optical properties of peroxy radicals in silica: Multiconfigurational perturbation theory calculations

Bonding of NO to NiO(100) and NixMg1−xO(100) surfaces: A challenge for theory

Simplified embedding schemes for the quantum-chemical description of neutral and charged point defects in SiO2 and related dielectrics

Relativistic effects in the electronic structure of the monoxides and monocarbonyls of Ni, Pd, and Pt: Local and gradient-corrected density functional calculations

Silicon and germanium clusters: a theoretical study of their electronic structures and properties

Can corundum be described as an ionic oxide ?

Cluster calculations of CO chemisorbed on the bridge site of Pd(100)

Bond ionicity of the halogen-silver interaction

The importance of correlation effects on the bonding of atomic oxygen on Pt(111)

Ab initio MRD CI investigation of the optical spectra of C4 and C5 clusters

Bonding geometry and bonding character of thiocyanate adsorbed on a Ag(100) surface

Paramagnetism of high nuclearity metal cluster compounds as derived from local density functional calculations

Stability and other properties of Li13 clusters. An example of specific characteristics of clusters

Calculated properties of alkali metal clusters with fivefold symmetry

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