28 datasets found for "chemistry"
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Federal
LAMMPS Simulation Data of Alchemical Processes
National Institute of Standards and Technology —
This data includes a four alchemical processes with data files generated with the python package: generate_alchemical_lammps (DOI from MIDAS) and the resulting output... -
Federal
ThermoML/Data Archive
National Institute of Standards and Technology —
ThermoML is an XML-based IUPAC standard for the storage and exchange of experimental thermophysical and thermochemical property data. The ThermoML archive is a subset... -
Federal
Experimental data sets for viscosity and surface tension of binary mixtures at the temperatures (293.15 to 323.15) K and the pressures (99.325 to 103.325) kPa
National Institute of Standards and Technology —
This is a research data set extracted from NIST Standard Reference Database 103b and contains raw experimental data for viscosity and surface tension of binary mixtures. -
Federal
Characterization of zinc carboxylates in an oil paint test panel [dataset]
Department of Commerce —
This dataset contains X-ray EDS (energy dispersive spectroscopy), FTIR (Fourier transform infrared spectroscopy), and DART-MS (Direct analysis in real time mass... -
Federal
Phase-shift Data for Fully Quantum Calculations of Thermophysical Properties for Noble Gases
National Institute of Standards and Technology —
This data deposit contains JSON files of phase-shift data and related quantities for pair interactions using state-of-the-art pair potentials for helium (isotopes of... -
Federal
Software and data associated with ``DeJaco, R. F.; Roberts, M. J.; Romsos, E. L.; Vallone, P. M.; Kearsley, A. J. Reducing Bias and Quantifying Uncertainty in Fluorescence Produced by PCR*Under Review*, 2023.''
Department of Commerce —
The purpose of this code and data is to enable reproductionand facilitate extension of the computationalresults associated with following workDeJaco, R. F.; Roberts,... -
Federal
Results of flow-FISH for RNA degradation
Department of Commerce —
Flow cytometry measurements of FISH-labeled RNA at timepoints following rifampicin addition. These data folders contain raw data (.fcs files), analysis files, and... -
Federal
AMB2025-03 High-Cycle Rotating Bending Fatigue Tests of PBF-L Ti-6Al-4V
Department of Commerce —
Specimens from one build of laser powder bed fusion (PBF-L) titanium alloy (Ti-6Al-4V) were split equally into two heat treatment conditions. The first condition is a... -
Federal
Construction of a Dual-enzyme, Subzero (-30 degree C) Chromatography System and Multi-channel Precision Temperature Controller for Hydrogen-Deuterium Exchange Mass Spectrometry
National Institute of Standards and Technology —
This tutorial provides mechanical drawings, electrical schematics, parts lists, STL files for 3D-printed parts, IGS files, and instructions for automated machining... -
Federal
Characterization of zinc carboxylates in an oil paint test panel [dataset]
National Institute of Standards and Technology —
This dataset contains X-ray EDS (energy dispersive spectroscopy), FTIR (Fourier transform infrared spectroscopy), and DART-MS (Direct analysis in real time mass... -
Federal
LAMMPS Simulation Data of Alchemical Processes
Department of Commerce —
This data includes a four alchemical processes with data files generated with the python package: generate_alchemical_lammps (DOI from MIDAS) and the resulting output... -
Federal
Development of a Tool to Determine the Variability of Consensus Mass Spectra Supporting Data
Department of Commerce —
Supporting datasets and algorithms (R-based) for the manuscript entitled "Development of a Tool to Determine the Variability of Consensus Mass Spectra", including an... -
Federal
Experimental data sets for viscosity and surface tension of binary mixtures at the temperatures (293.15 to 323.15) K and the pressures (99.325 to 103.325) kPa
Department of Commerce —
This is a research data set extracted from NIST Standard Reference Database 103b and contains raw experimental data for viscosity and surface tension of binary mixtures. -
Federal
Development of a Tool to Determine the Variability of Consensus Mass Spectra Supporting Data
National Institute of Standards and Technology —
Supporting datasets and algorithms (R-based) for the manuscript entitled "Development of a Tool to Determine the Variability of Consensus Mass Spectra", including an... -
Federal
Results of flow-FISH for RNA degradation
National Institute of Standards and Technology —
Flow cytometry measurements of FISH-labeled RNA at timepoints following rifampicin addition. These data folders contain raw data (.fcs files), analysis files, and... -
Federal
AMB2025-03 High-Cycle Rotating Bending Fatigue Tests of PBF-L Ti-6Al-4V
National Institute of Standards and Technology —
Specimens from one build of laser powder bed fusion (PBF-L) titanium alloy (Ti-6Al-4V) were split equally into two heat treatment conditions. The first condition is a... -
Federal
SQLite database with the results of quantum-chemical calculations for 20 cannabinoids and cannabinoid-related compounds
National Institute of Standards and Technology —
The data set contains the data for 20 cannabinoids and cannabinoid-related compounds computed with quantum-chemical methods. This includes the optimized geometries... -
Federal
Software and Data associated with "Binding, Brightness, or Noise? Extracting Temperature-dependent Properties of Dye Bound to DNA"
Department of Commerce —
The purpose of this software and data is to enable reproduction and facilitate extension of the computational results associated with the following referenceDeJaco,... -
Federal
Dilute solution properties and force field model parameters of LLDPE in good solvent from "Structure-dilute property relationships of comb-like macromolecules in a good solvent" and "The importance of branch placement on the dilute solution properties of comb-like macromolecules".
National Institute of Standards and Technology —
These data and the coarse-grain force-field parameters were used to produce publication (1) "Structure-dilute property relationships of comb-like macromolecules in a... -
Federal
Construction of a Dual-enzyme, Subzero (-30 degree C) Chromatography System and Multi-channel Precision Temperature Controller for Hydrogen-Deuterium Exchange Mass Spectrometry
Department of Commerce —
This tutorial provides mechanical drawings, electrical schematics, parts lists, STL files for 3D-printed parts, IGS files, and instructions for automated machining...
28 datasets found for "chemistry"