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...

Adsorption Isotherm Predictions for Multiple Molecules in MOFs Using the Same Deep Learning Model

Journal of chemical theory and computation, 2020-02, Vol.16 (2), p.1271-1283

2020

Volltextzugriff (PDF)

Role of Pore Chemistry and Topology in the CO2 Capture Capabilities of MOFs: From Molecular Simulation to Machine Learning

Chemistry of materials, 2018-09, Vol.30 (18), p.6325-6337

2018

Volltextzugriff (PDF)

Nanosizing a Metal–Organic Framework Enzyme Carrier for Accelerating Nerve Agent Hydrolysis

ACS nano, 2016-10, Vol.10 (10), p.9174-9182

2016

Volltextzugriff (PDF)

Enhancement of the Yield of Ammonia by Hydrogen‐Sink Effect during Plasma Catalysis

ChemCatChem, 2020-02, Vol.12 (4), p.1200-1211

2020

Volltextzugriff (PDF)

Electronic effects due to organic linker-metal surface interactions: implications on screening of MOF-encapsulated catalysts

Physical chemistry chemical physics : PCCP, 2020-01, Vol.22 (4), p.2475-2487

2020

Volltextzugriff (PDF)

Elucidating the Nanoparticle–Metal Organic Framework Interface of Pt@ZIF‑8 Catalysts

Journal of physical chemistry. C, 2017-11, Vol.121 (45), p.25079-25091

2017

Volltextzugriff (PDF)

Dynamic Evolution of Supported Metal Nanocatalyst/Carbon Structure during Single-Walled Carbon Nanotube Growth

ACS nano, 2012-01, Vol.6 (1), p.720-735

2012

Volltextzugriff (PDF)

Deep learning combined with IAST to screen thermodynamically feasible MOFs for adsorption-based separation of multiple binary mixtures

The Journal of chemical physics, 2021-06, Vol.154 (23), p.234102-234102

2021

Volltextzugriff (PDF)

Large-Scale Free Energy Calculations on a Computational Metal–Organic Frameworks Database: Toward Synthetic Likelihood Predictions

Chemistry of materials, 2020-10, Vol.32 (19), p.8106-8119

2020

Volltextzugriff (PDF)

Molecular Building Block-Based Electronic Charges for High-Throughput Screening of Metal–Organic Frameworks for Adsorption Applications

Journal of chemical theory and computation, 2018-01, Vol.14 (1), p.365-376

2018

Volltextzugriff (PDF)

Attainable Volumetric Targets for Adsorption-Based Hydrogen Storage in Porous Crystals: Molecular Simulation and Machine Learning

Journal of physical chemistry. C, 2019-01, Vol.123 (1), p.120-130

2019

Volltextzugriff (PDF)

Characterization of carbon atomistic pathways during single-walled carbon nanotube growth on supported metal nanoparticles

Carbon (New York), 2013-06, Vol.57, p.298-309

2013

Volltextzugriff (PDF)

Characterization of Metal Nanocatalyst State and Morphology during Simulated Single-Walled Carbon Nanotube Growth

Journal of physical chemistry. C, 2013-06, Vol.117 (23), p.12061-12070

2013

Volltextzugriff (PDF)

Theoretical assessments of Pd–PdO phase transformation and its impacts on H2O2 synthesis and decomposition pathways

Catalysis science & technology, 2023-07, Vol.13 (13), p.3828-3848

2023

Volltextzugriff (PDF)

Nanocatalyst structure as a template to define chirality of nascent single-walled carbon nanotubes

The Journal of chemical physics, 2011-01, Vol.134 (1), p.014705-014705-11

2011

Volltextzugriff (PDF)

Stacking of Monolayer Graphene Particles at a Water–Vapor Interface

Journal of physical chemistry. C, 2021-04, Vol.125 (14), p.7880-7888

2021

Volltextzugriff (PDF)

Material Consequences of Hydrogen Dissolution in Palladium Alloys Observed from First Principles

Journal of physical chemistry. C, 2019-09, Vol.123 (36), p.22158-22171

2019

Volltextzugriff (PDF)

Effects of Precursor Type on the CVD Growth of Single-Walled Carbon Nanotubes

Journal of physical chemistry. C, 2013-05, Vol.117 (20), p.10397-10409

2013

Volltextzugriff (PDF)

Exploring the Limits of Methane Storage and Delivery in Nanoporous Materials

Journal of physical chemistry. C, 2014-04, Vol.118 (13), p.6941-6951

2014

Volltextzugriff (PDF)

Effect of Metal Cluster-Cap Interactions on the Catalyzed Growth of Single-Wall Carbon Nanotubes

Journal of physical chemistry. C, 2009-01, Vol.113 (2), p.698-709

2009

Volltextzugriff (PDF)

Exploiting hydrophobicity and hydrophilicity in nanopores as a design principle for "smart" MOF microtanks for methane storage

Molecular systems design & engineering, 2020-01, Vol.5 (1), p.166-176

2020

Volltextzugriff (PDF)

Vacancy Healing as a Desorption Tool: Oxygen Triggered Removal of Stored Ammonia from NiO1–x /MOR Validated by Experiments and Simulations

ACS applied energy materials, 2020-09, Vol.3 (9), p.8233-8239

2020

Volltextzugriff (PDF)

Benchmark Study of Hydrogen Storage in Metal–Organic Frameworks under Temperature and Pressure Swing Conditions

ACS energy letters, 2018-03, Vol.3 (3), p.748-754

2018

Volltextzugriff (PDF)

Implications of sterically constrained n-butane oxidation reactions on the reaction mechanism and selectivity to 1-butanol

Surface science, 2016-11, Vol.653, p.11-21

2016

Volltextzugriff (PDF)

High-throughput screening of hypothetical metal-organic frameworks for thermal conductivity

npj computational materials, 2023-01, Vol.9 (1), p.11-12, Article 11

2023

Volltextzugriff (PDF)

1 – 25 von 31

Suche als RSS-Feed

Aktive Filter

ThemaInorganic, Organic, Physical, And Analytical Chemistry

ThemaChemistry, Physical

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(30)
Mit Volltextzugriff
(31)

Publikationsform

Artikel
(31)

Sprache

Englisch
(31)

Erscheinungsjahr

n.n

Thema

Chemistry
(31)
Physical Sciences
(31)
Science & Technology
(31)
Materials Science
(21)
Materials Science, Multidisciplinary
(21)
Technology
(21)
Nanoscience & Nanotechnology
(13)
Science & Technology - Other Topics
(13)
Physics
(10)
Metal-Organic Frameworks
(8)
Catalysis
(6)
Physics, Atomic, Molecular & Chemical
(6)
Adsorption
(5)
Catalysts
(4)
Computer Simulation
(4)
Nanoparticles
(4)
Oxidation
(4)
Screening
(4)
Cross-Disciplinary Physics: Materials Science; Rheology
(3)

14 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Adsorption Isotherm Predictions for Multiple Molecules in MOFs Using the Same Deep Learning Model

Role of Pore Chemistry and Topology in the CO2 Capture Capabilities of MOFs: From Molecular Simulation to Machine Learning

Nanosizing a Metal–Organic Framework Enzyme Carrier for Accelerating Nerve Agent Hydrolysis

Enhancement of the Yield of Ammonia by Hydrogen‐Sink Effect during Plasma Catalysis

Electronic effects due to organic linker-metal surface interactions: implications on screening of MOF-encapsulated catalysts

Elucidating the Nanoparticle–Metal Organic Framework Interface of Pt@ZIF‑8 Catalysts

Dynamic Evolution of Supported Metal Nanocatalyst/Carbon Structure during Single-Walled Carbon Nanotube Growth

Deep learning combined with IAST to screen thermodynamically feasible MOFs for adsorption-based separation of multiple binary mixtures

Large-Scale Free Energy Calculations on a Computational Metal–Organic Frameworks Database: Toward Synthetic Likelihood Predictions

Molecular Building Block-Based Electronic Charges for High-Throughput Screening of Metal–Organic Frameworks for Adsorption Applications

Attainable Volumetric Targets for Adsorption-Based Hydrogen Storage in Porous Crystals: Molecular Simulation and Machine Learning

Characterization of carbon atomistic pathways during single-walled carbon nanotube growth on supported metal nanoparticles

Characterization of Metal Nanocatalyst State and Morphology during Simulated Single-Walled Carbon Nanotube Growth

Theoretical assessments of Pd–PdO phase transformation and its impacts on H2O2 synthesis and decomposition pathways

Nanocatalyst structure as a template to define chirality of nascent single-walled carbon nanotubes

Stacking of Monolayer Graphene Particles at a Water–Vapor Interface

Material Consequences of Hydrogen Dissolution in Palladium Alloys Observed from First Principles

Effects of Precursor Type on the CVD Growth of Single-Walled Carbon Nanotubes

Exploring the Limits of Methane Storage and Delivery in Nanoporous Materials

Effect of Metal Cluster-Cap Interactions on the Catalyzed Growth of Single-Wall Carbon Nanotubes

Exploiting hydrophobicity and hydrophilicity in nanopores as a design principle for "smart" MOF microtanks for methane storage

Vacancy Healing as a Desorption Tool: Oxygen Triggered Removal of Stored Ammonia from NiO1–x /MOR Validated by Experiments and Simulations

Benchmark Study of Hydrogen Storage in Metal–Organic Frameworks under Temperature and Pressure Swing Conditions

Implications of sterically constrained n-butane oxidation reactions on the reaction mechanism and selectivity to 1-butanol

High-throughput screening of hypothetical metal-organic frameworks for thermal conductivity

Aktive Filter

Suchergebnisse filtern