UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 114

Sortiert nach

Synergistic Application of XPS and DFT to Investigate Metal Oxide Surface Catalysis

Journal of physical chemistry. C, 2018-10, Vol.122 (39), p.22397-22406

2018

Link zum Volltext

Verfügbarkeit prüfen

Investigating Reaction Mechanisms for Furfural Hydrodeoxygenation on Ni and the Effect of Boron Doping on the Activity and Selectivity of the Catalyst

Journal of physical chemistry. C, 2018-08, Vol.122 (32), p.18383-18394

2018

Link zum Volltext

Verfügbarkeit prüfen

Novel lignin polymerization pathway leading to branching in the structure

Organic & biomolecular chemistry, 2023-06, Vol.21 (22), p.4596-46

2023

Link zum Volltext

Verfügbarkeit prüfen

Unraveling the mechanism of the oxidation of glycerol to dicarboxylic acids over a sonochemically synthesized copper oxide catalyst

Green chemistry : an international journal and green chemistry resource : GC, 2018, Vol.20 (12), p.2730-2741

2018

Link zum Volltext

Verfügbarkeit prüfen

Influence of Hubbard U Parameter in Simulating Adsorption and Reactivity on CuO: Combined Theoretical and Experimental Study

Journal of physical chemistry. C, 2017-10, Vol.121 (39), p.21343-21353

2017

Link zum Volltext

Verfügbarkeit prüfen

Understanding solvent effects in the selective conversion of fructose to 5-hydroxymethyl-furfural: a molecular dynamics investigation

Physical chemistry chemical physics : PCCP, 2012-01, Vol.14 (8), p.2637-2644

2012

Link zum Volltext

Verfügbarkeit prüfen

Revealing pyrolysis chemistry for biofuels production: Conversion of cellulose to furans and small oxygenates

Energy & environmental science, 2012-01, Vol.5 (1), p.5414-5424

2012

Link zum Volltext

Verfügbarkeit prüfen

Adsorption and Reactivity of Cellulosic Aldoses on Transition Metals

Journal of physical chemistry. C, 2015-07, Vol.119 (30), p.17137-17145

2015

Link zum Volltext

Verfügbarkeit prüfen

Predicting CO2 adsorption and reactivity on transition metal surfaces using popular density functional theory methods

Molecular simulation, 2019-10, Vol.45 (14-15), p.1163-1172

2019

Link zum Volltext

Verfügbarkeit prüfen

Crystallization-induced red emission of a facilely synthesized biodegradable indigo derivative

Chemical communications (Cambridge, England), 2015-02, Vol.51 (16), p.3375-3378

2015

Link zum Volltext

Verfügbarkeit prüfen

Origins of covalent linkages within the lignin-carbohydrate network of biomass

Physical chemistry chemical physics : PCCP, 2022-08, Vol.24 (34), p.248-249

2022

Link zum Volltext

Verfügbarkeit prüfen

Insights into the C–H Bond Activation on NiO Surfaces: The Role of Nickel and Oxygen Vacancies and of Low Valent Dopants on the Reactivity and Energetics

Journal of physical chemistry. C, 2017-08, Vol.121 (33), p.17969-17981

2017

Link zum Volltext

Verfügbarkeit prüfen

Fructose–Water–Dimethylsulfoxide Interactions by Vibrational Spectroscopy and Molecular Dynamics Simulations

The journal of physical chemistry. B, 2012-09, Vol.116 (36), p.11274-11283

2012

Link zum Volltext

Verfügbarkeit prüfen

Origins of complex solvent effects on chemical reactivity and computational tools to investigate them: a review

Reaction chemistry & engineering, 2019-02, Vol.4 (2), p.165-26

2019

Link zum Volltext

Verfügbarkeit prüfen

Determining surface-specific Hubbard- U corrections and identifying key adsorbates on nickel and cobalt oxide catalyst surfaces

Physical chemistry chemical physics : PCCP, 2023-03, Vol.25 (12), p.8903-8912

2023

Link zum Volltext

Verfügbarkeit prüfen

Novel Nickel-Based Single-Atom Alloy Catalyst for CO2 Conversion Reactions: Computational Screening and Reaction Mechanism Analysis

Journal of physical chemistry. C, 2021-02, Vol.125 (7), p.4041-4055

2021

Link zum Volltext

Verfügbarkeit prüfen

Influence of Alkali and Alkaline-Earth Metals on the Cleavage of Glycosidic Bond in Biomass Pyrolysis: A DFT Study Using Cellobiose as a Model Compound

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-09, Vol.122 (38), p.7646-7658

2018

Link zum Volltext

Verfügbarkeit prüfen

Fast Pyrolysis of Cellulose, Hemicellulose, and Lignin: Effect of Operating Temperature on Bio-oil Yield and Composition and Insights into the Intrinsic Pyrolysis Chemistry

Industrial & engineering chemistry research, 2019-09, Vol.58 (35), p.15838-15852

2019

Link zum Volltext

Verfügbarkeit prüfen

Insights into the Interplay of Lewis and Brønsted Acid Catalysts in Glucose and Fructose Conversion to 5‑(Hydroxymethyl)furfural and Levulinic Acid in Aqueous Media

Journal of the American Chemical Society, 2013-03, Vol.135 (10), p.3997-4006

2013

Link zum Volltext

Verfügbarkeit prüfen

Reaction Pathways for the Deoxygenation of Biomass‐Pyrolysis‐Derived Bio‐oil on Ru: A DFT Study using Furfural as a Model Compound

ChemCatChem, 2017-07, Vol.9 (14), p.2828-2838

2017

Link zum Volltext

Verfügbarkeit prüfen

Sub-Surface Boron-Doped Copper for Methane Activation and Coupling: First-Principles Investigation of the Structure, Activity, and Selectivity of the Catalyst

Journal of physical chemistry. C, 2017-01, Vol.121 (2), p.1099-1112

2017

Link zum Volltext

Verfügbarkeit prüfen

A Combined Experimental and DFT Investigation of Selective Hydrodeoxygenation of Guaiacol over Bimetallic Carbides

Energy & fuels, 2020-12, Vol.34 (12), p.16265-16273

2020

Link zum Volltext

Verfügbarkeit prüfen

Investigating methane dry reforming on Ni and B promoted Ni surfaces: DFT assisted microkinetic analysis and addressing the coking problem

Catalysis science & technology, 2020-10, Vol.1 (19), p.6628-6643

2020

Link zum Volltext

Verfügbarkeit prüfen

Chemoinformatic Investigation of the Chemistry of Cellulose and Lignin Derivatives in Hydrous Pyrolysis

Industrial & engineering chemistry research, 2020-06, Vol.59 (25), p.11582-11595

2020

Link zum Volltext

Verfügbarkeit prüfen

Insights into the solvation of vanadium ions in the vanadium redox flow battery electrolyte using molecular dynamics and metadynamics

Electrochimica acta, 2018-04, Vol.270, p.471-479

2018

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 114

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(109)
Mit Volltextzugriff
(114)

Publikationsform

Artikel
(114)

Sprache

Englisch
(106)
Japanisch
(11)
Deutsch
(4)

Erscheinungsjahr

n.n

Thema

Science & Technology
(76)
Physical Sciences
(65)
Chemistry
(64)
Chemistry, Physical
(45)
Technology
(38)
Engineering
(21)
Engineering, Chemical
(21)
Catalysis
(20)
Materials Science
(17)
Chemistry, Multidisciplinary
(16)
Materials Science, Multidisciplinary
(16)
Catalysts
(15)
Physics
(15)
Physics, Atomic, Molecular & Chemical
(15)
Glucose
(13)
Science & Technology - Other Topics
(13)
Biomass
(12)
Oxidation
(12)
Dichtefunktionaltheorie
(11)
Biomasse
(10)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 90 Tagen
(3)

Menü

Weitere Dienste

Einstellungen

Synergistic Application of XPS and DFT to Investigate Metal Oxide Surface Catalysis

Investigating Reaction Mechanisms for Furfural Hydrodeoxygenation on Ni and the Effect of Boron Doping on the Activity and Selectivity of the Catalyst

Novel lignin polymerization pathway leading to branching in the structure

Unraveling the mechanism of the oxidation of glycerol to dicarboxylic acids over a sonochemically synthesized copper oxide catalyst

Influence of Hubbard U Parameter in Simulating Adsorption and Reactivity on CuO: Combined Theoretical and Experimental Study

Understanding solvent effects in the selective conversion of fructose to 5-hydroxymethyl-furfural: a molecular dynamics investigation

Revealing pyrolysis chemistry for biofuels production: Conversion of cellulose to furans and small oxygenates

Adsorption and Reactivity of Cellulosic Aldoses on Transition Metals

Predicting CO2 adsorption and reactivity on transition metal surfaces using popular density functional theory methods

Crystallization-induced red emission of a facilely synthesized biodegradable indigo derivative

Origins of covalent linkages within the lignin-carbohydrate network of biomass

Insights into the C–H Bond Activation on NiO Surfaces: The Role of Nickel and Oxygen Vacancies and of Low Valent Dopants on the Reactivity and Energetics

Fructose–Water–Dimethylsulfoxide Interactions by Vibrational Spectroscopy and Molecular Dynamics Simulations

Origins of complex solvent effects on chemical reactivity and computational tools to investigate them: a review

Determining surface-specific Hubbard- U corrections and identifying key adsorbates on nickel and cobalt oxide catalyst surfaces

Novel Nickel-Based Single-Atom Alloy Catalyst for CO2 Conversion Reactions: Computational Screening and Reaction Mechanism Analysis

Influence of Alkali and Alkaline-Earth Metals on the Cleavage of Glycosidic Bond in Biomass Pyrolysis: A DFT Study Using Cellobiose as a Model Compound

Fast Pyrolysis of Cellulose, Hemicellulose, and Lignin: Effect of Operating Temperature on Bio-oil Yield and Composition and Insights into the Intrinsic Pyrolysis Chemistry

Insights into the Interplay of Lewis and Brønsted Acid Catalysts in Glucose and Fructose Conversion to 5‑(Hydroxymethyl)furfural and Levulinic Acid in Aqueous Media

Reaction Pathways for the Deoxygenation of Biomass‐Pyrolysis‐Derived Bio‐oil on Ru: A DFT Study using Furfural as a Model Compound

Sub-Surface Boron-Doped Copper for Methane Activation and Coupling: First-Principles Investigation of the Structure, Activity, and Selectivity of the Catalyst

A Combined Experimental and DFT Investigation of Selective Hydrodeoxygenation of Guaiacol over Bimetallic Carbides

Investigating methane dry reforming on Ni and B promoted Ni surfaces: DFT assisted microkinetic analysis and addressing the coking problem

Chemoinformatic Investigation of the Chemistry of Cellulose and Lignin Derivatives in Hydrous Pyrolysis

Insights into the solvation of vanadium ions in the vanadium redox flow battery electrolyte using molecular dynamics and metadynamics

Suchergebnisse filtern