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Structure-property maps with kernel principal covariates regression
Data analyses based on linear methods constitute the simplest, most robust, and transparent approaches to the automatic processing of large amounts of data for building... -
Structure-property maps with kernel principal covariates regression
Data analyses based on linear methods constitute the simplest, most robust, and transparent approaches to the automatic processing of large amounts of data for building... -
Finite-temperature materials modeling from the quantum nuclei to the hot elec...
Atomistic simulations provide insights into structure-property relations on an atomic size and length scale that are complementary to the macroscopic observables that can be... -
Synthesis and structural properties of para-diselenopyrazines [data]
Recently, dithienopyrazines have emerged as promising building blocks in the field of materials science, showcasing their potential as hole-transport materials in organic... -
Modular synthetic strategies for dipyrrolopyrazines [data]
Herein we describe the synthesis of dipyrrolopyrazines via a tandem-Sonogashira coupling with subsequent direct cyclisation of the resulting bisalkynes. The key precursor,... -
Benzobischalcogeno[3,2-c]quinolines: Tuning Electronic and Structural Propert...
Chalcogen-substituted π-extended indolocarbazoles were synthesized through a nucleophilic cyclization of tethered diynes with sulfur, selenium or tellurium sources, followed by... -
Gold-Catalyzed Access to Pyrrolo- and (Aryl)Indolo-Fused Phenazines [data]
Novel fused phenazines were synthesized through a combination of gold-catalyzed hydroamination and cascade cyclization reactions towards azaacenes. In total, 30 new compounds... -
Facile two-step Synthesis of para-Dithienopyrazines [data]
N-Heteropolycyclic compounds are valuable building blocks in organic electronic devices. In this work, a convenient route for the synthesis of para-dithienopyrazines from... -
Accelerating Finite-temperature Kohn-Sham Density Functional Theory with Deep...
Output from electronic structure code (Quantum Espresso) that serves as training data for the machine-learning workflow of the related scientific publication... -
Data publication: Electrical Conductivity of Iron in Earth's Core from Micros...
Simulation and literature data on the electrical and thermal conductivity of iron. The raw simulation data was generated from time-dependent density functional theory... -
Consumables for Tribological Experiments - Sapphire on Copper - FAIR Dataset
This dataset contains FAIR records which describe the consumables utilized in the Materials Tribology Lab at the Karlsruhe Institute of Technology. -
Copper under Constant Normal Load n0001 - Tribological Experiments - Sapphire...
This dataset contains FAIR records which describe the tribological experiment Copper under Constant Normal Load #0001, which took place in the Materials Tribology Lab at the... -
Copper under Constant Normal Load n0002 - Tribological Experiments - Sapphire...
This dataset contains FAIR records which describe the tribological experiment Copper under Constant Normal Load #0002, which took place in the Materials Tribology Lab at the... -
Copper under Constant Normal Load n0003 - Tribological Experiments - Sapphire...
This dataset contains FAIR records which describe the tribological experiment Copper under Constant Normal Load #0003, which took place in the Materials Tribology Lab at the... -
Copper under Constant Normal Load n0004 - Tribological Experiments - Sapphire...
This dataset contains FAIR records which describe the tribological experiment Copper under Constant Normal Load #0004, which took place in the Materials Tribology Lab at the... -
Copper under Constant Normal Load n0005 - Tribological Experiments - Sapphire...
This dataset contains FAIR records which describe the tribological experiment Copper under Constant Normal Load #0005, which took place in the Materials Tribology Lab at the... -
Copper under Constant Normal Load n0006 - Tribological Experiments - Sapphire...
This dataset contains FAIR records which describe the tribological experiment Copper under Constant Normal Load #0006, which took place in the Materials Tribology Lab at the... -
Copper under Constant Normal Load n0007 - Tribological Experiments - Sapphire...
This dataset contains FAIR records which describe the tribological experiment Copper under Constant Normal Load #0007, which took place in the Materials Tribology Lab at the... -
Copper under Constant Normal Load n0008 - Tribological Experiments - Sapphire...
This dataset contains FAIR records which describe the tribological experiment Copper under Constant Normal Load #0008, which took place in the Materials Tribology Lab at the... -
Copper under Constant Normal Load n0012 - Tribological Experiments - Sapphire...
This dataset contains FAIR records which describe the tribological experiment Copper under Constant Normal Load #0012, which took place in the Materials Tribology Lab at the...