UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 182

Sortiert nach

Big data of materials science: critical role of the descriptor

Physical review letters, 2015-03, Vol.114 (10), p.105503-105503, Article 105503

2015

Volltextzugriff (PDF)

exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory

Journal of physics. Condensed matter, 2014-09, Vol.26 (36), p.363202-363202

2014

Volltextzugriff (PDF)

Confined Pyrolysis within Metal–Organic Frameworks To Form Uniform Ru3 Clusters for Efficient Oxidation of Alcohols

Journal of the American Chemical Society, 2017-07, Vol.139 (29), p.9795-9798

2017

Volltextzugriff (PDF)

Carbon nitride supported Fe2 cluster catalysts with superior performance for alkene epoxidation

Nature communications, 2018-06, Vol.9 (1), p.1-7, Article 2353

2018

Volltextzugriff (PDF)

Learning physical descriptors for materials science by compressed sensing

New journal of physics, 2017-02, Vol.19 (2), p.23017

2017

Volltextzugriff (PDF)

Advancing descriptor search in materials science: feature engineering and selection strategies

New journal of physics, 2022-11, Vol.24 (11), p.113049

2022

Volltextzugriff (PDF)

Density-of-states similarity descriptor for unsupervised learning from materials data

Scientific data, 2022-10, Vol.9 (1), p.646-646, Article 646

2022

Volltextzugriff (PDF)

Estimating excitonic effects in the absorption spectra of solids: problems and insight from a guided iteration scheme

Physical review letters, 2015-04, Vol.114 (14), p.146402-146402, Article 146402

2015

Volltextzugriff (PDF)

Ab Initio Approach to Second-order Resonant Raman Scattering Including Exciton-Phonon Interaction

Scientific reports, 2017-08, Vol.7 (1), p.7344-10, Article 7344

2017

Volltextzugriff (PDF)

Linear optical properties of solids within the full-potential linearized augmented planewave method

Computer physics communications, 2006-07, Vol.175 (1), p.1-14

2006

Volltextzugriff (PDF)

Influence of carbon on energetics, electronic structure, and mechanical properties of TiAl alloys

New journal of physics, 2021-07, Vol.23 (7), p.73048

2021

Volltextzugriff (PDF)

Effect of rhenium on the dislocation core structure in tungsten

Physical review letters, 2010-05, Vol.104 (19), p.195503-195503, Article 195503

2010

Volltextzugriff (PDF)

First-principles study of Pd-alloyed Cu(111) surface in hydrogen atmosphere at realistic temperatures

Journal of applied physics, 2020-10, Vol.128 (14)

2020

Volltextzugriff (PDF)

Optical Constants and Inelastic Electron-Scattering Data for 17 Elemental Metals

Journal of physical and chemical reference data, 2009-12, Vol.38 (4), p.1013-1092

2009

Volltextzugriff (PDF)

Hybrid Organic-Inorganic Perovskites as Promising Substrates for Pt Single-Atom Catalysts

Physical review letters, 2019-02, Vol.122 (4), p.046101-046101, Article 046101

2019

Volltextzugriff (PDF)

Relativistic effects on the linear optical properties of Au, Pt, Pb and W

New journal of physics, 2010-10, Vol.12 (10), p.103048

2010

Volltextzugriff (PDF)

Reconstruction of Molecular Orbital Densities from Photoemission Data

Science (American Association for the Advancement of Science), 2009-10, Vol.326 (5953), p.702-706

2009

Volltextzugriff (PDF)

Importance of van der Waals interaction for organic molecule-metal junctions: adsorption of thiophene on Cu(110) as a prototype

Physical review letters, 2007-10, Vol.99 (17), p.176401-176401, Article 176401

2007

Volltextzugriff (PDF)

Characterization of Step-Edge Barriers in Organic Thin-Film Growth

Science (American Association for the Advancement of Science), 2008-07, Vol.321 (5885), p.108-111

2008

Volltextzugriff (PDF)

Speeding up all-electron real-time TDDFT demonstrated by the exciting package

Computer physics communications, 2024-11, Vol.304, p.109292, Article 109292

2024

Volltextzugriff (PDF)

Understanding the effects of packing and chemical terminations on the optical excitations of azobenzene-functionalized self-assembled monolayers

Journal of physics. Condensed matter, 2017-10, Vol.29 (39), p.394005-394005

2017

Volltextzugriff (PDF)

Influence of the core-valence interaction and of the pseudopotential approximation on the electron self-energy in semiconductors

Physical review letters, 2008-09, Vol.101 (10), p.106404-106404, Article 106404

2008

Volltextzugriff (PDF)

All-electron many-body approach to resonant inelastic X-ray scattering

Physical chemistry chemical physics : PCCP, 2022-07, Vol.24 (29), p.17439-17448

2022

Volltextzugriff (PDF)

Organic/Inorganic Hybrid Materials: Challenges for ab Initio Methodology

Accounts of chemical research, 2014-11, Vol.47 (11), p.3225-3232

2014

Volltextzugriff (PDF)

Correction: The Dielectric Constant of Self-Assembled Monolayers

Advanced functional materials, 2011-09, Vol.21 (18), p.3406-3406

2011

Volltextzugriff (PDF)

1 – 25 von 182

Suche als RSS-Feed

Aktive Filter

ThemaMaterials Science, Multidisciplinary

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(143)
Mit Volltextzugriff
(176)

Publikationsform

Sprache

Englisch
(177)
Japanisch
(23)
Deutsch
(4)

Erscheinungsjahr

n.n

Neu hinzugefügt

... seit 90 Tagen
(3)

Menü

Weitere Dienste

Einstellungen

Big data of materials science: critical role of the descriptor

exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory

Confined Pyrolysis within Metal–Organic Frameworks To Form Uniform Ru3 Clusters for Efficient Oxidation of Alcohols

Carbon nitride supported Fe2 cluster catalysts with superior performance for alkene epoxidation

Learning physical descriptors for materials science by compressed sensing

Advancing descriptor search in materials science: feature engineering and selection strategies

Density-of-states similarity descriptor for unsupervised learning from materials data

Estimating excitonic effects in the absorption spectra of solids: problems and insight from a guided iteration scheme

Ab Initio Approach to Second-order Resonant Raman Scattering Including Exciton-Phonon Interaction

Linear optical properties of solids within the full-potential linearized augmented planewave method

Influence of carbon on energetics, electronic structure, and mechanical properties of TiAl alloys

Effect of rhenium on the dislocation core structure in tungsten

First-principles study of Pd-alloyed Cu(111) surface in hydrogen atmosphere at realistic temperatures

Optical Constants and Inelastic Electron-Scattering Data for 17 Elemental Metals

Hybrid Organic-Inorganic Perovskites as Promising Substrates for Pt Single-Atom Catalysts

Relativistic effects on the linear optical properties of Au, Pt, Pb and W

Reconstruction of Molecular Orbital Densities from Photoemission Data

Importance of van der Waals interaction for organic molecule-metal junctions: adsorption of thiophene on Cu(110) as a prototype

Characterization of Step-Edge Barriers in Organic Thin-Film Growth

Speeding up all-electron real-time TDDFT demonstrated by the exciting package

Understanding the effects of packing and chemical terminations on the optical excitations of azobenzene-functionalized self-assembled monolayers

Influence of the core-valence interaction and of the pseudopotential approximation on the electron self-energy in semiconductors

All-electron many-body approach to resonant inelastic X-ray scattering

Organic/Inorganic Hybrid Materials: Challenges for ab Initio Methodology

Correction: The Dielectric Constant of Self-Assembled Monolayers

Aktive Filter

Suchergebnisse filtern