Advanced Search
Display options
Filter resources
Text Availability
Article type
Publication date
Species
Language
Sex
Age
Showing 1 to 12 of 460 entries
Sorted by: Best Match Show Resources per page
What is egalitrianism?

diversity

Scheffler S.
GSID: o_jCcjOect0J
S Scheffler - Philosophy & public affairs, 2003 - Wiley Online Library

One of the most significant theories of distributive justice to have emerged since the publication of A Theory of Justice is the form of distributive egalitarianism that Elizabeth …

Chaotic vibrations of the duffing system with fractional damping.

Chaos (Woodbury, N.Y.)

Syta A, Litak G, Lenci S, Scheffler M.
PMID: 24697369
Chaos. 2014 Mar;24(1):013107. doi: 10.1063/1.4861942.

We examined the Duffing system with a fractional damping term. Calculating the basins of attraction, we demonstrate a broad spectrum of non-linear behaviour connected with sensitivity to the initial conditions and chaos. To quantify dynamical response of the system,...

Evidence for photogenerated intermediate hole polarons in ZnO.

Nature communications

Sezen H, Shang H, Bebensee F, Yang C, Buchholz M, Nefedov A, Heissler S, Carbogno C, Scheffler M, Rinke P, Wöll C.
PMID: 25902307
Nat Commun. 2015 Apr 22;6:6901. doi: 10.1038/ncomms7901.

Despite their pronounced importance for oxide-based photochemistry, optoelectronics and photovoltaics, only fairly little is known about the polaron lifetimes and binding energies. Polarons represent a crucial intermediate step populated immediately after dissociation of the excitons formed in the primary...

Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies.

Journal of chemical theory and computation

Hansen K, Montavon G, Biegler F, Fazli S, Rupp M, Scheffler M, von Lilienfeld OA, Tkatchenko A, Müller KR.
PMID: 26584096
J Chem Theory Comput. 2013 Aug 13;9(8):3404-19. doi: 10.1021/ct400195d. Epub 2013 Jul 30.

The accurate and reliable prediction of properties of molecules typically requires computationally intensive quantum-chemical calculations. Recently, machine learning techniques applied to ab initio calculations have been proposed as an efficient approach for describing the energies of molecules in their...

Computational materials: Open data settled in materials theory.

Nature

Draxl C, Illas F, Scheffler M.
PMID: 28858316
Nature. 2017 Aug 30;548(7669):523. doi: 10.1038/548523d.

No abstract available.

Detection of Volatile Metabolites of Garlic in Human Breast Milk.

Metabolites

Scheffler L, Sauermann Y, Zeh G, Hauf K, Heinlein A, Sharapa C, Buettner A.
PMID: 27275838
Metabolites. 2016 Jun 06;6(2). doi: 10.3390/metabo6020018.

The odor of human breast milk after ingestion of raw garlic at food-relevant concentrations by breastfeeding mothers was investigated for the first time chemo-analytically using gas chromatography-mass spectrometry/olfactometry (GC-MS/O), as well as sensorially using a trained human sensory panel....

Local Atomic Arrangements and Band Structure of Boron Carbide.

Angewandte Chemie (International ed. in English)

Rasim K, Ramlau R, Leithe-Jasper A, Mori T, Burkhardt U, Borrmann H, Schnelle W, Carbogno C, Scheffler M, Grin Y.
PMID: 29577533
Angew Chem Int Ed Engl. 2018 May 22;57(21):6130-6135. doi: 10.1002/anie.201800804. Epub 2018 Apr 23.

Boron carbide, the simple chemical combination of boron and carbon, is one of the best-known binary ceramic materials. Despite that, a coherent description of its crystal structure and physical properties resembles one of the most challenging problems in materials...

Space-charge transfer in hybrid inorganic-organic systems.

Physical review letters

Xu Y, Hofmann OT, Schlesinger R, Winkler S, Frisch J, Niederhausen J, Vollmer A, Blumstengel S, Henneberger F, Koch N, Rinke P, Scheffler M.
PMID: 24329464
Phys Rev Lett. 2013 Nov 27;111(22):226802. doi: 10.1103/PhysRevLett.111.226802. Epub 2013 Nov 27.

We discuss density functional theory calculations of hybrid inorganic-organic systems that explicitly include the global effects of doping (i.e., position of the Fermi level) and the formation of a space-charge layer. For the example of tetrafluoro-tetracyanoquinodimethane on the ZnO(0001[over...

Reproducibility in density functional theory calculations of solids.

Science (New York, N.Y.)

Lejaeghere K, Bihlmayer G, Björkman T, Blaha P, Blügel S, Blum V, Caliste D, Castelli IE, Clark SJ, Dal Corso A, de Gironcoli S, Deutsch T, Dewhurst JK, Di Marco I, Draxl C, Dułak M, Eriksson O, Flores-Livas JA, Garrity KF, Genovese L, Giannozzi P, Giantomassi M, Goedecker S, Gonze X, Grånäs O, Gross EK, Gulans A, Gygi F, Hamann DR, Hasnip PJ, Holzwarth NA, Iuşan D, Jochym DB, Jollet F, Jones D, Kresse G, Koepernik K, Küçükbenli E, Kvashnin YO, Locht IL, Lubeck S, Marsman M, Marzari N, Nitzsche U, Nordström L, Ozaki T, Paulatto L, Pickard CJ, Poelmans W, Probert MI, Refson K, Richter M, Rignanese GM, Saha S, Scheffler M, Schlipf M, Schwarz K, Sharma S, Tavazza F, Thunström P, Tkatchenko A, Torrent M, Vanderbilt D, van Setten MJ, Van Speybroeck V, Wills JM, Yates JR, Zhang GX, Cottenier S.
PMID: 27013736
Science. 2016 Mar 25;351(6280):aad3000. doi: 10.1126/science.aad3000.

The widespread popularity of density functional theory has given rise to an extensive range of dedicated codes for predicting molecular and crystalline properties. However, each code implements the formalism in a different way, raising questions about the reproducibility of...

Erratum to: Impact of PET/CT image reconstruction methods and liver uptake normalization strategies on quantitative image analysis.

European journal of nuclear medicine and molecular imaging

Kuhnert G, Boellaard R, Sterzer S, Kahraman D, Scheffler M, Wolf J, Dietlein M, Drzezga A, Kobe C.
PMID: 26481912
Eur J Nucl Med Mol Imaging. 2016 Jan;43(1):204-205. doi: 10.1007/s00259-015-3230-3.

No abstract available.

Discovery of Potent, Selective, and Structurally Novel Dot1L Inhibitors by a Fragment Linking Approach.

ACS medicinal chemistry letters

Möbitz H, Machauer R, Holzer P, Vaupel A, Stauffer F, Ragot C, Caravatti G, Scheufler C, Fernandez C, Hommel U, Tiedt R, Beyer KS, Chen C, Zhu H, Gaul C.
PMID: 28337327
ACS Med Chem Lett. 2017 Feb 14;8(3):338-343. doi: 10.1021/acsmedchemlett.6b00519. eCollection 2017 Mar 09.

Misdirected catalytic activity of histone methyltransferase Dot1L is believed to be causative for a subset of highly aggressive acute leukemias. Targeting the catalytic domain of Dot1L represents a potential therapeutic approach for these leukemias. In the context of a...

Microwave resonances in dielectric samples probed in Corbino geometry: simulation and experiment.

The Review of scientific instruments

Felger MM, Dressel M, Scheffler M.
PMID: 24289421
Rev Sci Instrum. 2013 Nov;84(11):114703. doi: 10.1063/1.4827084.

The Corbino approach, where the sample of interest terminates a coaxial cable, is a well-established method for microwave spectroscopy. If the sample is dielectric and if the probe geometry basically forms a conductive cavity, this combination can sustain well-defined...

Showing 1 to 12 of 460 entries