6,223 datasets found

Zeolites are microporous materials that are used as heterogeneous acid catalysts in reactions. It is important to study reactive intermediates in zeolites in order to understand...

Eu2AuGe3 was synthesized by metal flux method. Room temperature single crystal XRD data shows that this compound crystallizes within the orthorhombic Ca2AgSi3 type structure....

SQUID magnetometry is the first and most trivial step when studying magnetic systems. However reliable conclusions can only be made in cases of very simple systems. When the...

The airborne hyperspectral image was acquired by the AVIRIS-Next Generation (AVIRIS-NG) instrument during the AVIRIS-NG Europe 2021 HyperSense campaign that has been conducted...

tmQMg is a dataset of graph representation for neural networks – the natural quantum graph (NatQG), which are based on natural bond orbitals (NBOs) and their second-order...

experiment source scripts, inputs and result files for the publication

Molecular dynamics (MD) simulation files for the publication

source simulation files, analysis data, source code, manuscript etc. for the publication

source simulation/analysis data for the publication

raw experiment/simulation data for the publication

Three folders are included in the datasets: 1. "imm1": All IMM1-GC simulations stored in the following directories. Organisation is always the same: - DCD files can be found in...

Molecular Dynamics (MD) simulation files for the publication

tmQMg is a dataset of graph representation for neural networks – the natural quantum graph (NatQG), which are based on natural bond orbitals (NBOs) and their second-order...

Simulations of 10p/15p yeast : simulations based on xtal structures from Marmorstein team human : simulations from Angele's homology models

Results for Tyrosine-choline, Phenylalanine-choline and Tryptophan-choline force field improvements. For ease of processing, results from both works are kept together. Results...

MD simulation data for the publication

data files of the molecular dynamics (MD) simulations for the publication

Molecular dynamics (MD) simulation files, figures, manuscript for the publication; All files for MD simulations can be found here: 2014_Schillinger_etal_BBA/Data

Results for Tyrosine-choline, Phenylalanine-choline and Tryptophan-choline force field improvements. For ease of processing, results from both works are kept together. Results...

Geochemical analysis of tephra layers T1-T6, from Salar Grande site (20°59.862'S, 70°01.630'W). These data complement and support the results presented in the journal article...