UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 390

Sortiert nach

Nickel supported on nitrogen-doped carbon nanotubes as hydrogen oxidation reaction catalyst in alkaline electrolyte

Nature communications, 2016-01, Vol.7 (1), p.10141-10141, Article 10141

2016

Volltextzugriff (PDF)

Site-Dependent Lewis Acidity of γ‑Al2O3 and Its Impact on Ethanol Dehydration and Etherification

Journal of physical chemistry. C, 2014-06, Vol.118 (24), p.12899-12907

2014

Volltextzugriff (PDF)

Unraveling the Role of Metal–Support Interactions in Heterogeneous Catalysis: Oxygenate Selectivity in Fischer–Tropsch Synthesis

ACS catalysis, 2013-12, Vol.3 (12), p.2881-2890

2013

Volltextzugriff (PDF)

Solventless C–C Coupling of Low Carbon Furanics to High Carbon Fuel Precursors Using an Improved Graphene Oxide Carbocatalyst

ACS catalysis, 2017-06, Vol.7 (6), p.3905-3915

2017

Volltextzugriff (PDF)

Benchmark calculations of water-acene interaction energies: Extrapolation to the water-graphene limit and assessment of dispersion-corrected DFT methods

Physical chemistry chemical physics : PCCP, 2010-01, Vol.12 (24), p.6375-6381

2010

Volltextzugriff (PDF)

Reaction Pathways and Intermediates in Selective Ring Opening of Biomass-Derived Heterocyclic Compounds by Iridium

ACS catalysis, 2016-10, Vol.6 (10), p.7002-7009

2016

Volltextzugriff (PDF)

A second generation distributed point polarizable water model

The Journal of chemical physics, 2010-01, Vol.132 (1), p.014309-014309-12

2010

Volltextzugriff (PDF)

DF-DFT-SAPT Investigation of the Interaction of a Water Molecule to Coronene and Dodecabenzocoronene: Implications for the Water−Graphite Interaction

Journal of physical chemistry. C, 2009-06, Vol.113 (23), p.10242-10248

2009

Volltextzugriff (PDF)

Understanding and reducing deleterious defects in the metastable alloy GaAsBi

NPG Asia materials, 2017, Vol.9 (1), p.e345-e345

2017

Volltextzugriff (PDF)

Mechanistic Insights into Metal Lewis Acid-Mediated Catalytic Transfer Hydrogenation of Furfural to 2‑Methylfuran

ACS catalysis, 2015-07, Vol.5 (7), p.3988-3994

2015

Volltextzugriff (PDF)

Effect of Concrete Composition on the Thermodynamic Binding of Dopamine: A DFT Study

Langmuir, 2022-01, Vol.38 (1), p.472-481

2022

Volltextzugriff (PDF)

Distribution of open sites in Sn-Beta zeolite

Microporous and mesoporous materials, 2017-06, Vol.245 (C), p.45-50

2017

Volltextzugriff (PDF)

DFT Study of the Conversion of Furfuryl Alcohol to 2‑Methylfuran on RuO2 (110)

Journal of physical chemistry. C, 2015-03, Vol.119 (11), p.5938-5945

2015

Volltextzugriff (PDF)

Thermodynamic Adsorption States of TNT and DNAN on Corundum and Hematite

Journal of physical chemistry. C, 2020-06, Vol.124 (25), p.13837-13844

2020

Volltextzugriff (PDF)

DFT investigation on the adsorption of munition compounds on α-Fe2O3: similarity and differences with α-Al2O3

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (27), p.18850-18861

2018

Volltextzugriff (PDF)

Deactivation of Pt/Al2O3 during propane oxidation at low temperatures: Kinetic regimes and platinum oxide formation

Journal of catalysis, 2016-05, Vol.337 (C), p.122-132

2016

Volltextzugriff (PDF)

Adventures in DFTB: Toward an Automatic Parameterization Scheme

Journal of chemical theory and computation, 2020-11, Vol.16 (11), p.6894-6903

2020

Volltextzugriff (PDF)

Preferential Adsorption of Prominent Amino Acids in the Urease Enzyme of Sporosarcina pasteurii on Arid Soil Components: A Periodic DFT Study

Langmuir, 2022-11, Vol.38 (44), p.13414-13428

2022

Volltextzugriff (PDF)

Atomistic insights into the hydrodefluorination of PFAS using silylium catalysts

Environmental science--processes & impacts, 2022-11, Vol.24 (11), p.285-299

2022

Volltextzugriff (PDF)

Periodic DFT calculations to compute the attributes of a quantum material: honeycomb ruthenium trichloride

Physical chemistry chemical physics : PCCP, 2024-07, Vol.26 (28), p.19369-19379

2024

Volltextzugriff (PDF)

What can Blyholder teach us about PFAS degradation on metal surfaces?

Environmental science. Advances, 2024-03, Vol.3 (3), p.383-41

2024

Volltextzugriff (PDF)

DFT investigation on the adsorption of munition compounds on α-Fe 2 O 3 : similarity and differences with α-Al 2 O 3

Physical chemistry chemical physics : PCCP, 2018-07, Vol.20 (27), p.18850-18861

2018

Volltextzugriff (PDF)

Ring‐Opening Reaction of Furfural and Tetrahydrofurfuryl Alcohol on Hydrogen‐Predosed Iridium(1 1 1) and Cobalt/Iridium(1 1 1) Surfaces

ChemCatChem, 2017-05, Vol.9 (9), p.1701-1707

2017

Volltextzugriff (PDF)

Understanding and reducing deleterious defects in the metastable alloy GaAsBi

NPG Asia Materials, 2017-01, Vol.9 (1), p.e345-e345

2017

Volltextzugriff (PDF)

Lewis Acid Site and Hydrogen-Bond-Mediated Polarization Synergy in the Catalysis of Diels–Alder Cycloaddition by Band-Gap Transition-Metal Oxides

ACS catalysis, 2019-01, Vol.9 (1), p.701-715

2019

Volltextzugriff (PDF)

1 – 25 von 390

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(345)
Mit Volltextzugriff
(363)

Publikationsform

1 weiteren anzeigen...

Weniger anzeigen...

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(220)
Life Sciences & Biomedicine
(107)
Physical Sciences
(96)
Animals
(55)
Astronomy & Astrophysics
(55)
Agriculture
(46)
Food Science & Technology
(46)
Agriculture, Dairy & Animal Science
(45)
Female
(45)
Humans
(45)
Chemistry
(30)
Exact Sciences And Technology
(29)
Male
(28)
Technology
(27)
Earth, Ocean, Space
(26)
Social Sciences
(26)
Astronomy
(25)
Stars: Formation
(23)
Cattle
(21)
Chemistry, Physical
(21)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 90 Tagen
(3)

Menü

Weitere Dienste

Einstellungen

Nickel supported on nitrogen-doped carbon nanotubes as hydrogen oxidation reaction catalyst in alkaline electrolyte

Site-Dependent Lewis Acidity of γ‑Al2O3 and Its Impact on Ethanol Dehydration and Etherification

Unraveling the Role of Metal–Support Interactions in Heterogeneous Catalysis: Oxygenate Selectivity in Fischer–Tropsch Synthesis

Solventless C–C Coupling of Low Carbon Furanics to High Carbon Fuel Precursors Using an Improved Graphene Oxide Carbocatalyst

Benchmark calculations of water-acene interaction energies: Extrapolation to the water-graphene limit and assessment of dispersion-corrected DFT methods

Reaction Pathways and Intermediates in Selective Ring Opening of Biomass-Derived Heterocyclic Compounds by Iridium

A second generation distributed point polarizable water model

DF-DFT-SAPT Investigation of the Interaction of a Water Molecule to Coronene and Dodecabenzocoronene: Implications for the Water−Graphite Interaction

Understanding and reducing deleterious defects in the metastable alloy GaAsBi

Mechanistic Insights into Metal Lewis Acid-Mediated Catalytic Transfer Hydrogenation of Furfural to 2‑Methylfuran

Effect of Concrete Composition on the Thermodynamic Binding of Dopamine: A DFT Study

Distribution of open sites in Sn-Beta zeolite

DFT Study of the Conversion of Furfuryl Alcohol to 2‑Methylfuran on RuO2 (110)

Thermodynamic Adsorption States of TNT and DNAN on Corundum and Hematite

DFT investigation on the adsorption of munition compounds on α-Fe2O3: similarity and differences with α-Al2O3

Deactivation of Pt/Al2O3 during propane oxidation at low temperatures: Kinetic regimes and platinum oxide formation

Adventures in DFTB: Toward an Automatic Parameterization Scheme

Preferential Adsorption of Prominent Amino Acids in the Urease Enzyme of Sporosarcina pasteurii on Arid Soil Components: A Periodic DFT Study

Atomistic insights into the hydrodefluorination of PFAS using silylium catalysts

Periodic DFT calculations to compute the attributes of a quantum material: honeycomb ruthenium trichloride

What can Blyholder teach us about PFAS degradation on metal surfaces?

DFT investigation on the adsorption of munition compounds on α-Fe 2 O 3 : similarity and differences with α-Al 2 O 3

Ring‐Opening Reaction of Furfural and Tetrahydrofurfuryl Alcohol on Hydrogen‐Predosed Iridium(1 1 1) and Cobalt/Iridium(1 1 1) Surfaces

Understanding and reducing deleterious defects in the metastable alloy GaAsBi

Lewis Acid Site and Hydrogen-Bond-Mediated Polarization Synergy in the Catalysis of Diels–Alder Cycloaddition by Band-Gap Transition-Metal Oxides

Suchergebnisse filtern