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...

A fuzzy classification framework to identify equivalent atoms in complex materials and molecules

The Journal of chemical physics, 2023-07, Vol.159 (2)

2023

Volltextzugriff (PDF)

Ruthenium Oxide Nanosheets for Enhanced Oxygen Evolution Catalysis in Acidic Medium

Advanced energy materials, 2019-04, Vol.9 (15), p.n/a

2019

Volltextzugriff (PDF)

Data-efficient iterative training of Gaussian approximation potentials: Application to surface structure determination of rutile IrO2 and RuO2

The Journal of chemical physics, 2021-12, Vol.155 (24), p.244107-244107

2021

Volltextzugriff (PDF)

Formation and stability of small polarons at the lithium-terminated Li4Ti5O12 (LTO) (111) surface

The Journal of chemical physics, 2020-10, Vol.153 (14), p.144701-144701

2020

Volltextzugriff (PDF)

Implications of Occupational Disorder on Ion Mobility in Li4Ti5O12 Battery Materials

Nano letters, 2017-06, Vol.17 (6), p.3884-3888

2017

Volltextzugriff (PDF)

Interface between graphene and liquid Cu from molecular dynamics simulations

The Journal of chemical physics, 2020-08, Vol.153 (7), p.074702-074702

2020

Volltextzugriff (PDF)

Benchmarks and Dielectric Constants for Reparametrized OPLS and Polarizable Force Field Models of Chlorinated Hydrocarbons

The journal of physical chemistry. B, 2018-01, Vol.122 (2), p.770-779

2018

Volltextzugriff (PDF)

Addressing global uncertainty and sensitivity in first-principles based microkinetic models by an adaptive sparse grid approach

The Journal of chemical physics, 2018-01, Vol.148 (3), p.034102-034102

2018

Volltextzugriff (PDF)

Correlation between arterial blood gas and CT volumetry in patients with SARS-CoV-2 in the emergency department

International journal of infectious diseases, 2020-08, Vol.97, p.233-235

2020

Volltextzugriff (PDF)

Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential

Materials, 2021-11, Vol.14 (21), p.6633

2021

Volltextzugriff (PDF)

Revised Atomic Charges for OPLS Force Field Model of Poly(Ethylene Oxide): Benchmarks and Applications in Polymer Electrolyte

Polymers, 2021-04, Vol.13 (7), p.1131

2021

Volltextzugriff (PDF)

Exploiting Nanoscale Complexion in LATP Solid-State Electrolyte via Interfacial Mg2+ Doping

Nanomaterials (Basel, Switzerland), 2022-08, Vol.12 (17), p.2912

2022

Volltextzugriff (PDF)

On the Role of Long-Range Electrostatics in Machine-Learned Interatomic Potentials for Complex Battery Materials

ACS applied energy materials, 2021-11, Vol.4 (11), p.12562-12569

2021

Volltextzugriff (PDF)

Physics-based synthetic data model for automated segmentation in catalysis microscopy

BIO web of conferences, 2024, Vol.129, p.10009

2024

Volltextzugriff (PDF)

Tackling Structural Complexity in Li2S-P2S5 Solid-State Electrolytes Using Machine Learning Potentials

Nanomaterials (Basel, Switzerland), 2022-08, Vol.12 (17), p.2950

2022

Volltextzugriff (PDF)

The influence of conjugated alkynyl(aryl) surface groups on the optical properties of silicon nanocrystals: photoluminescence through in-gap states

Nanotechnology, 2018-08, Vol.29 (35), p.355705-355705

2018

Volltextzugriff (PDF)

Revisiting the Storage Capacity Limit of Graphite Battery Anodes: Spontaneous Lithium Overintercalation at Ambient Pressure

PRX Energy, 2023-03, Vol.2 (1), Article 013003

2023

Volltextzugriff (PDF)

Electrolyte contact changes nano-Li4Ti5O12 bulk properties via surface polarons

Communications chemistry, 2023-06, Vol.6 (1), p.113-113, Article 113

2023

Volltextzugriff (PDF)

Safety and differences between direct oral anticoagulants and vitamin K antagonists in the risk of post-traumatic intrathoracic bleeding after rib fractures in elderly patients

Emergency care journal, 2021-12, Vol.17 (4)

2021

Volltextzugriff (PDF)

Hydrogen bonding characteristics of 2-pyrrolidinone: a joint experimental and theoretical study

Physical chemistry chemical physics : PCCP, 2012-01, Vol.14 (47), p.16294-163

2012

Volltextzugriff (PDF)

Ab Initio Thermodynamics Insight into the Structural Evolution of Working IrO2 Catalysts in Proton-Exchange Membrane Electrolyzers

ACS catalysis, 2019-06, Vol.9 (6), p.4944-4950

2019

Volltextzugriff (PDF)

Deuteration of Hyperpolarized 13C‐Labeled Zymonic Acid Enables Sensitivity‐Enhanced Dynamic MRI of pH

Chemphyschem, 2017-09, Vol.18 (18), p.2422-2425

2017

Volltextzugriff (PDF)

Epitaxial Core‐Shell Oxide Nanoparticles: First‐Principles Evidence for Increased Activity and Stability of Rutile Catalysts for Acidic Oxygen Evolution

ChemSusChem, 2022-05, Vol.15 (10), p.e202200015-n/a

2022

Volltextzugriff (PDF)

A model-free sparse approximation approach to robust formal reaction kinetics

Chemical engineering journal (Lausanne, Switzerland : 1996), 2022-04, Vol.433, p.134121, Article 134121

2022

Volltextzugriff (PDF)

Staged Training of Machine-Learning Potentials from Small to Large Surface Unit Cells: Efficient Global Structure Determination of the RuO2(100)‑c(2 × 2) Reconstruction and (410) Vicinal

Journal of physical chemistry. C, 2023-09, Vol.127 (35), p.17599-17608

2023

Volltextzugriff (PDF)

1 – 25 von 125

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(113)
Mit Volltextzugriff
(106)

Publikationsform

Sprache

Englisch
(122)
Deutsch
(2)

Erscheinungsjahr

n.n

Thema

Science & Technology
(74)
Physical Sciences
(52)
Chemistry
(47)
Chemistry, Physical
(35)
Physics
(25)
Life Sciences & Biomedicine
(20)
Technology
(17)
Materials Science
(16)
Physics, Atomic, Molecular & Chemical
(16)
Materials Science, Multidisciplinary
(15)
Chemistry, Multidisciplinary
(13)
Humans
(13)
Science & Technology - Other Topics
(10)
Electrolytes
(9)
Density Functional Theory
(8)
Nanoscience & Nanotechnology
(8)
Physics, Applied
(8)
Biological And Medical Sciences
(7)
Machine Learning
(7)
Molecular Dynamics
(7)

15 weitere anzeigen...

Weniger anzeigen...

Zeitschrift / Serie

5 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(1)
... seit 90 Tagen
(5)

Menü

Weitere Dienste

Einstellungen

A fuzzy classification framework to identify equivalent atoms in complex materials and molecules

Ruthenium Oxide Nanosheets for Enhanced Oxygen Evolution Catalysis in Acidic Medium

Data-efficient iterative training of Gaussian approximation potentials: Application to surface structure determination of rutile IrO2 and RuO2

Formation and stability of small polarons at the lithium-terminated Li4Ti5O12 (LTO) (111) surface

Implications of Occupational Disorder on Ion Mobility in Li4Ti5O12 Battery Materials

Interface between graphene and liquid Cu from molecular dynamics simulations

Benchmarks and Dielectric Constants for Reparametrized OPLS and Polarizable Force Field Models of Chlorinated Hydrocarbons

Addressing global uncertainty and sensitivity in first-principles based microkinetic models by an adaptive sparse grid approach

Correlation between arterial blood gas and CT volumetry in patients with SARS-CoV-2 in the emergency department

Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential

Revised Atomic Charges for OPLS Force Field Model of Poly(Ethylene Oxide): Benchmarks and Applications in Polymer Electrolyte

Exploiting Nanoscale Complexion in LATP Solid-State Electrolyte via Interfacial Mg2+ Doping

On the Role of Long-Range Electrostatics in Machine-Learned Interatomic Potentials for Complex Battery Materials

Physics-based synthetic data model for automated segmentation in catalysis microscopy

Tackling Structural Complexity in Li2S-P2S5 Solid-State Electrolytes Using Machine Learning Potentials

The influence of conjugated alkynyl(aryl) surface groups on the optical properties of silicon nanocrystals: photoluminescence through in-gap states

Revisiting the Storage Capacity Limit of Graphite Battery Anodes: Spontaneous Lithium Overintercalation at Ambient Pressure

Electrolyte contact changes nano-Li4Ti5O12 bulk properties via surface polarons

Safety and differences between direct oral anticoagulants and vitamin K antagonists in the risk of post-traumatic intrathoracic bleeding after rib fractures in elderly patients

Hydrogen bonding characteristics of 2-pyrrolidinone: a joint experimental and theoretical study

Ab Initio Thermodynamics Insight into the Structural Evolution of Working IrO2 Catalysts in Proton-Exchange Membrane Electrolyzers

Deuteration of Hyperpolarized 13C‐Labeled Zymonic Acid Enables Sensitivity‐Enhanced Dynamic MRI of pH

Epitaxial Core‐Shell Oxide Nanoparticles: First‐Principles Evidence for Increased Activity and Stability of Rutile Catalysts for Acidic Oxygen Evolution

A model-free sparse approximation approach to robust formal reaction kinetics

Staged Training of Machine-Learning Potentials from Small to Large Surface Unit Cells: Efficient Global Structure Determination of the RuO2(100)‑c(2 × 2) Reconstruction and (410) Vicinal

Suchergebnisse filtern