UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 185

Sortiert nach

Density Functional Theory and Electron Paramagnetic Resonance Study on the Effect of N−F Codoping of TiO2

Chemistry of materials, 2008-06, Vol.20 (11), p.3706-3714

2008

Volltextzugriff (PDF)

Accuracy of dielectric-dependent hybrid functionals in the prediction of optoelectronic properties of metal oxide semiconductors: a comprehensive comparison with many-body GW and experiments

Journal of physics. Condensed matter, 2018-01, Vol.30 (4), p.044003-044003

2018

Volltextzugriff (PDF)

The nitrogen-boron paramagnetic center in visible light sensitized N-B co-doped TiO2. Experimental and theoretical characterization

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (1), p.136-143

2011

Volltextzugriff (PDF)

The Nature of Defects in Fluorine-Doped TiO2

Journal of physical chemistry. C, 2008-06, Vol.112 (24), p.8951-8956

2008

Volltextzugriff (PDF)

EPR g -tensor of paramagnetic centers in yttria-stabilized zirconia from first-principles calculations

Physical review. B, Condensed matter and materials physics, 2006-04, Vol.73 (13), Article 134112

2006

Volltextzugriff (PDF)

Nucleation of Pd dimers at defect sites of the MgO(100) surface

Physical review letters, 2004-03, Vol.92 (9), p.096105-096105, Article 096105

2004

Volltextzugriff (PDF)

Concerted vs Stepwise Mechanism in 1,3-Dipolar Cycloaddition of Nitrone to Ethene, Cyclobutadiene, and Benzocyclobutadiene. A Computational Study

Journal of organic chemistry, 2000-09, Vol.65 (19), p.6112-6120

2000

Volltextzugriff (PDF)

Mechanism of spin ordering in Fe3O4 nanoparticles by surface coating with organic acids

Materials today. Nano, 2022-03, Vol.17, p.100169, Article 100169

2022

Volltextzugriff (PDF)

Characterization of Paramagnetic Species in N-Doped TiO2 Powders by EPR Spectroscopy and DFT Calculations

The journal of physical chemistry. B, 2005-06, Vol.109 (23), p.11414-11419

2005

Volltextzugriff (PDF)

Olefin Epoxidation by Peroxo Complexes of Cr, Mo, and W. A Comparative Density Functional Study

Journal of organic chemistry, 2000-05, Vol.65 (10), p.2996-3004

2000

Volltextzugriff (PDF)

o-Quinone Methide as Alkylating Agent of Nitrogen, Oxygen, and Sulfur Nucleophiles. The Role of H-Bonding and Solvent Effects on the Reactivity through a DFT Computational Study

Journal of the American Chemical Society, 2001-08, Vol.123 (34), p.8366-8377

2001

Volltextzugriff (PDF)

Allylic Alcohol Epoxidation by Methyltrioxorhenium: A Density Functional Study on the Mechanism and the Role of Hydrogen Bonding

Journal of the American Chemical Society, 2001-03, Vol.123 (10), p.2365-2376

2001

Volltextzugriff (PDF)

The nitrogen photoactive centre in N-doped titanium dioxide formed via interaction of N atoms with the solid. Nature and energy level of the species

Chemical physics letters, 2009-07, Vol.477 (1), p.135-138

2009

Volltextzugriff (PDF)

The treatment of the spin coupling in the bonding of NO to the Ni-doped MgO (100) surface

Molecular physics, 2003-01, Vol.101 (1-2), p.241-247

2003

Volltextzugriff (PDF)

Characterization of O−-Centers on Single Crystalline MgO(001)-Films

Topics in catalysis, 2015-09, Vol.58 (12-13), p.811-823

2015

Volltextzugriff (PDF)

When the Reporter Induces the Effect: Unusual IR spectra of CO on Au 1 /MgO(001)/Mo(001)

Angewandte Chemie International Edition, 2006-04, Vol.45 (16), p.2633-2635

2006

Volltextzugriff (PDF)

Adsorption of Water on Reconstructed Rutile TiO2(011)-(2×1): TiO Double Bonds and Surface Reactivity

Journal of the American Chemical Society, 2005-07, Vol.127 (27), p.9895-9903

2005

Volltextzugriff (PDF)

Nature of the Chemical Bond between Metal Atoms and Oxide Surfaces: New Evidences from Spin Density Studies of K Atoms on Alkaline Earth Oxides

Journal of the American Chemical Society, 2005-12, Vol.127 (48), p.16935-16944

2005

Volltextzugriff (PDF)

Origin of the different photoactivity of N-doped anatase and rutile TiO2

Physical review. B, Condensed matter and materials physics, 2004-08, Vol.70 (8), p.085116.1-085116.4

2004

Volltextzugriff (PDF)

Paramagnetic Defect Centers at the MgO Surface. An Alternative Model to Oxygen Vacancies

Journal of the American Chemical Society, 2003-01, Vol.125 (3), p.738-747

2003

Volltextzugriff (PDF)

Oxygen vacancies and peroxo groups on regular and low-coordinated sites of MgO, CaO, SrO, and BaO surfaces

Surface science, 2006-03, Vol.600 (5), p.1147-1154

2006

Volltextzugriff (PDF)

Surface structure of TiO2(011)-(2 × 1)

Physical review letters, 2004-07, Vol.93 (3), p.036104.1-036104.4, Article 036104

2004

Volltextzugriff (PDF)

Single Electron Traps at the Surface of Polycrystalline MgO: Assignment of the Main Trapping Sites

The journal of physical chemistry. B, 2005-04, Vol.109 (15), p.7314-7322

2005

Volltextzugriff (PDF)

Nano-assembled Pd catalysts on MgO thin films

Thin solid films, 2001-12, Vol.400 (1), p.37-42

2001

Volltextzugriff (PDF)

First Evidence of a Single-Ion Electron Trap at the Surface of an Ionic Oxide

Angewandte Chemie (International ed.), 2003-04, Vol.42 (15), p.1759-1761

2003

Volltextzugriff (PDF)

1 – 25 von 185

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(164)
Mit Volltextzugriff
(179)

Publikationsform

Sprache

1 weiteren anzeigen...

Weniger anzeigen...

Erscheinungsjahr

n.n

Thema

Science & Technology
(115)
Physical Sciences
(74)
Chemistry
(57)
Physics
(42)
Chemistry, Physical
(40)
Life Sciences & Biomedicine
(37)
Technology
(27)
Exact Sciences And Technology
(24)
Humans
(21)
Female
(15)
Materials Science
(15)
Materials Science, Multidisciplinary
(13)
Physics, Condensed Matter
(13)
Chemistry, Multidisciplinary
(12)
Condensed Matter: Structure, Mechanical And Thermal Properties
(12)
Physics, Atomic, Molecular & Chemical
(12)
Medicin Och Hälsovetenskap
(11)
Adult
(10)
Life Sciences
(10)
Middle Aged
(10)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 90 Tagen
(1)

Menü

Weitere Dienste

Einstellungen

Density Functional Theory and Electron Paramagnetic Resonance Study on the Effect of N−F Codoping of TiO2

Accuracy of dielectric-dependent hybrid functionals in the prediction of optoelectronic properties of metal oxide semiconductors: a comprehensive comparison with many-body GW and experiments

The nitrogen-boron paramagnetic center in visible light sensitized N-B co-doped TiO2. Experimental and theoretical characterization

The Nature of Defects in Fluorine-Doped TiO2

EPR g -tensor of paramagnetic centers in yttria-stabilized zirconia from first-principles calculations

Nucleation of Pd dimers at defect sites of the MgO(100) surface

Concerted vs Stepwise Mechanism in 1,3-Dipolar Cycloaddition of Nitrone to Ethene, Cyclobutadiene, and Benzocyclobutadiene. A Computational Study

Mechanism of spin ordering in Fe3O4 nanoparticles by surface coating with organic acids

Characterization of Paramagnetic Species in N-Doped TiO2 Powders by EPR Spectroscopy and DFT Calculations

Olefin Epoxidation by Peroxo Complexes of Cr, Mo, and W. A Comparative Density Functional Study

o-Quinone Methide as Alkylating Agent of Nitrogen, Oxygen, and Sulfur Nucleophiles. The Role of H-Bonding and Solvent Effects on the Reactivity through a DFT Computational Study

Allylic Alcohol Epoxidation by Methyltrioxorhenium: A Density Functional Study on the Mechanism and the Role of Hydrogen Bonding

The nitrogen photoactive centre in N-doped titanium dioxide formed via interaction of N atoms with the solid. Nature and energy level of the species

The treatment of the spin coupling in the bonding of NO to the Ni-doped MgO (100) surface

Characterization of O−-Centers on Single Crystalline MgO(001)-Films

When the Reporter Induces the Effect: Unusual IR spectra of CO on Au 1 /MgO(001)/Mo(001)

Adsorption of Water on Reconstructed Rutile TiO2(011)-(2×1): TiO Double Bonds and Surface Reactivity

Nature of the Chemical Bond between Metal Atoms and Oxide Surfaces: New Evidences from Spin Density Studies of K Atoms on Alkaline Earth Oxides

Origin of the different photoactivity of N-doped anatase and rutile TiO2

Paramagnetic Defect Centers at the MgO Surface. An Alternative Model to Oxygen Vacancies

Oxygen vacancies and peroxo groups on regular and low-coordinated sites of MgO, CaO, SrO, and BaO surfaces

Surface structure of TiO2(011)-(2 × 1)

Single Electron Traps at the Surface of Polycrystalline MgO: Assignment of the Main Trapping Sites

Nano-assembled Pd catalysts on MgO thin films

First Evidence of a Single-Ion Electron Trap at the Surface of an Ionic Oxide

Suchergebnisse filtern