UB Paderborn / Katalog / Suche / in CDI

Sortiert nach

Einfacher Volltextzugriff von (fast) überall

Installieren Sie die LibKey Nomad-Browsererweiterung und erhalten Sie von vielen Webseiten einfachen Zugriff auf lizenzierte Volltexte oder Open Access Publikationen. Mehr erfahren...

Reactivity of shape-controlled crystals and metadynamics simulations locate the weak spots of alumina in water

Nature communications, 2019-07, Vol.10 (1), p.3139-8, Article 3139

2019

Volltextzugriff (PDF)

Anionic or Cationic S‑Doping in Bulk Anatase TiO2: Insights on Optical Absorption from First Principles Calculations

Journal of physical chemistry. C, 2013-05, Vol.117 (17), p.8892-8902

2013

Volltextzugriff (PDF)

Use of DFT to achieve a rational understanding of acid–basic properties of γ-alumina surfaces

Journal of catalysis, 2004-08, Vol.226 (1), p.54-68

2004

Volltextzugriff (PDF)

Origin of the Enhanced Visible-Light Absorption in N-Doped Bulk Anatase TiO2 from First-Principles Calculations

Journal of physical chemistry. C, 2011-10, Vol.115 (39), p.19394-19404

2011

Volltextzugriff (PDF)

Performance and degradation of Proton Exchange Membrane Fuel Cells: State of the art in modeling from atomistic to system scale

Journal of power sources, 2016-02, Vol.304, p.207-233

2016

Volltextzugriff (PDF)

Significance of single-electron energies for the description of CO on Pt(111)

Physical review. B, Condensed matter, 2003-08, Vol.68 (7), Article 073401

2003

Volltextzugriff (PDF)

Titania-Supported Catalysts for Levulinic Acid Hydrogenation: Influence of Support and its Impact on γ-Valerolactone Yield

ChemSusChem, 2015-05, Vol.8 (9), p.1538-1547

2015

Volltextzugriff (PDF)

Titania-Supported Catalysts for Levulinic Acid Hydrogenation: Influence of Support and its Impact on [gamma]-Valerolactone Yield

ChemSusChem, 2015-05, Vol.8 (9), p.1538

2015

Volltextzugriff (PDF)

Platinum Nanoclusters Stabilized on γ-Alumina by Chlorine Used As a Capping Surface Ligand: A Density Functional Theory Study

ACS catalysis, 2012-07, Vol.2 (7), p.1346-1357

2012

Volltextzugriff (PDF)

Structural Characterization of the EtOH–TiCl4–MgCl2 Ziegler–Natta Precatalyst

Journal of physical chemistry. C, 2016-08, Vol.120 (32), p.18075-18087

2016

Volltextzugriff (PDF)

Hydroxyl Groups on γ-Alumina Surfaces: A DFT Study

Journal of catalysis, 2002-10, Vol.211 (1), p.1-5

2002

Volltextzugriff (PDF)

Chemisorption of Benzene on Pt(111), Pd(111), and Rh(111) Metal Surfaces: A Structural and Vibrational Comparison from First Principles

The journal of physical chemistry. B, 2004-05, Vol.108 (18), p.5653-5665

2004

Volltextzugriff (PDF)

Influence of Sn additives on the selectivity of hydrogenation of α- β-unsaturated aldehydes with Pt catalysts: a density functional study of molecular adsorption

Journal of catalysis, 2003-11, Vol.220 (1), p.115-126

2003

Volltextzugriff (PDF)

A Density Functional Study of Adsorption Structures of Unsaturated Aldehydes on Pt(111): A Key Factor for Hydrogenation Selectivity

Journal of catalysis, 2002-10, Vol.211 (2), p.398-406

2002

Volltextzugriff (PDF)

Antibiotic-loaded tantalum may serve as an antimicrobial delivery agent

The bone & joint journal, 2019-07, Vol.101-B (7), p.848-851

2019

Volltextzugriff (PDF)

Images of Adsorbates with the Scanning Tunneling Microscope: Theoretical Approaches to the Contrast Mechanism

Chemical reviews, 1997-06, Vol.97 (4), p.1097-1116

Sautet, Philippe

1997

Volltextzugriff (PDF)

Understanding the HIV-1 Protease Reactivity with DFT: What Do We Gain from Recent Functionals?

The journal of physical chemistry. B, 2011-07, Vol.115 (26), p.8545-8558

2011

Volltextzugriff (PDF)

Intermediates in the hydrogenation of benzene to cyclohexene on Pt(1 1 1) and Pd(1 1 1): A comparison from DFT calculations

Surface science, 2006-03, Vol.600 (6), p.1339-1350

2006

Volltextzugriff (PDF)

A DFT comparative study of carbon adsorption and diffusion on the surface and subsurface of Ni and Ni3Pd alloy

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (48), p.11546-11556

2009

Volltextzugriff (PDF)

Economic evaluation of porous metal cones in total knee arthroplasty

Annales pharmaceutiques françaises, 2022-01, Vol.80 (1), p.81-88

2022

Volltextzugriff (PDF)

Trends in the Chemisorption of Aromatic Molecules on a Pt(111) Surface: Benzene, Naphthalene, and Anthracene from First Principles Calculations

The journal of physical chemistry. B, 2004-08, Vol.108 (32), p.12084-12091

2004

Volltextzugriff (PDF)

Highly selective hydrogenation of butadiene on Pt/Sn alloy elucidated by first-principles calculations

Journal of catalysis, 2010-09, Vol.275 (1), p.129-139

2010

Volltextzugriff (PDF)

Dependence of stretching frequency on surface coverage and adsorbate–adsorbate interactions: a density-functional theory approach of CO on Pd (111)

Surface science, 1999-04, Vol.425 (1), p.68-80

1999

Volltextzugriff (PDF)

Density-Functional Study of the Adsorption and Vibration Spectra of Benzene Molecules on Pt(111)

The journal of physical chemistry. B, 2003-04, Vol.107 (13), p.2995-3002

2003

Volltextzugriff (PDF)

Comment on "Electronic properties and charge transfer phenomena in Pt nanoparticles on γ-Al2O3: size, shape, support, and adsorbate effects" by F. Behafarid et al., Phys. Chem. Chem. Phys., 2012, 14, 11766-11779

Physical chemistry chemical physics : PCCP, 2012-12, Vol.14 (48), p.16773-16774

2012

Volltextzugriff (PDF)

1 – 25 von 339

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(281)
Mit Volltextzugriff
(300)

Publikationsform

1 weiteren anzeigen...

Weniger anzeigen...

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(189)
Physical Sciences
(159)
Chemistry
(138)
Chemical Sciences
(128)
Catalysis
(121)
Chemistry, Physical
(104)
Physics
(101)
Exact Sciences And Technology
(86)
Technology
(57)
Physics, Condensed Matter
(50)
Materials Science
(42)
General And Physical Chemistry
(35)
Condensed Matter: Structure, Mechanical And Thermal Properties
(33)
Materials Science, Multidisciplinary
(32)
Surfaces And Interfaces; Thin Films And Whiskers
(29)
Applied Sciences
(25)
Life Sciences & Biomedicine
(22)
Physics, Applied
(22)
Chemisorption
(21)
Metals. Metallurgy
(21)

15 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Reactivity of shape-controlled crystals and metadynamics simulations locate the weak spots of alumina in water

Anionic or Cationic S‑Doping in Bulk Anatase TiO2: Insights on Optical Absorption from First Principles Calculations

Use of DFT to achieve a rational understanding of acid–basic properties of γ-alumina surfaces

Origin of the Enhanced Visible-Light Absorption in N-Doped Bulk Anatase TiO2 from First-Principles Calculations

Performance and degradation of Proton Exchange Membrane Fuel Cells: State of the art in modeling from atomistic to system scale

Significance of single-electron energies for the description of CO on Pt(111)

Titania-Supported Catalysts for Levulinic Acid Hydrogenation: Influence of Support and its Impact on γ-Valerolactone Yield

Titania-Supported Catalysts for Levulinic Acid Hydrogenation: Influence of Support and its Impact on [gamma]-Valerolactone Yield

Platinum Nanoclusters Stabilized on γ-Alumina by Chlorine Used As a Capping Surface Ligand: A Density Functional Theory Study

Structural Characterization of the EtOH–TiCl4–MgCl2 Ziegler–Natta Precatalyst

Hydroxyl Groups on γ-Alumina Surfaces: A DFT Study

Chemisorption of Benzene on Pt(111), Pd(111), and Rh(111) Metal Surfaces: A Structural and Vibrational Comparison from First Principles

Influence of Sn additives on the selectivity of hydrogenation of α- β-unsaturated aldehydes with Pt catalysts: a density functional study of molecular adsorption

A Density Functional Study of Adsorption Structures of Unsaturated Aldehydes on Pt(111): A Key Factor for Hydrogenation Selectivity

Antibiotic-loaded tantalum may serve as an antimicrobial delivery agent

Images of Adsorbates with the Scanning Tunneling Microscope: Theoretical Approaches to the Contrast Mechanism

Understanding the HIV-1 Protease Reactivity with DFT: What Do We Gain from Recent Functionals?

Intermediates in the hydrogenation of benzene to cyclohexene on Pt(1 1 1) and Pd(1 1 1): A comparison from DFT calculations

A DFT comparative study of carbon adsorption and diffusion on the surface and subsurface of Ni and Ni3Pd alloy

Economic evaluation of porous metal cones in total knee arthroplasty

Trends in the Chemisorption of Aromatic Molecules on a Pt(111) Surface: Benzene, Naphthalene, and Anthracene from First Principles Calculations

Highly selective hydrogenation of butadiene on Pt/Sn alloy elucidated by first-principles calculations

Dependence of stretching frequency on surface coverage and adsorbate–adsorbate interactions: a density-functional theory approach of CO on Pd (111)

Density-Functional Study of the Adsorption and Vibration Spectra of Benzene Molecules on Pt(111)

Comment on "Electronic properties and charge transfer phenomena in Pt nanoparticles on γ-Al2O3: size, shape, support, and adsorbate effects" by F. Behafarid et al., Phys. Chem. Chem. Phys., 2012, 14, 11766-11779

Suchergebnisse filtern