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9,10-Dihydroanthracene: Experimental and Derived Thermodynamic Properties
Data provided by National Institute of Standards and Technology
This document is part of a series of reports describing experimental property measurements completed at the National Institute for Petroleum and Energy Research (NIPER) in Bartlesville, Oklahoma, in the 1980s and 1990s. Members of the Bartlesville Thermodynamics Group included William D. "Bill" Good, William V. "Bill" Steele, Bruce E. Gammon, Norris K. Smith, Stephen E. Knipmeyer, An "Andy" Nguyen, Timothy D. Klots, I. A. "Alex" Hossenlopp, Aaron P. Rau, William B. Collier, John F. Messerly, Ann G. Osborn, Susan Lee-Bechtold, Donald G. Archer, Ian R.
Modified:
Semisolid Extrusion and Drop-on-Demand Pharmaceutical Printing for Personalized Medicine: Solid Tablet Manufacturing
Data provided by National Institute of Standards and Technology
This data publication contains the raw, derived, and processed data related to investigations into solid tablet dosage form production using drop-on-demand dispensing of active pharmacetuical ingredients. UV-Vis spectroscopy, THz Raman spectroscopy, and mass spectrometry chemical data for pharmaceutical-grade excipients, warfarin sodium, doxycycline, citalopram HBr, levothyroxine, fluoxetine, oxycodone, and acetaminophen are provided. SEM and high speed visualization, and drop counting print log data are included.
Modified:
Dictionary of Algorithms and Data Structures (DADS)
Data provided by National Institute of Standards and Technology
The Dictionary of Algorithms and Data Structures (DADS) is an online, publicly accessible dictionary of generally useful algorithms, data structures, algorithmic techniques, archetypal problems, and related definitions. In addition to brief definitions, some entries have links to related entries, links to implementations, and additional information. DADS is meant to be a resource for the practicing programmer, although students and researchers may find it a useful starting point.
Modified:
Source: https://doi.org/10.18434/T4/1422485
Data for Intrinsic DAC calculations
Data provided by National Institute of Standards and Technology
Results of calculations and simulations for the Intrinsic Direct Air Capture analysis of Metal Organic Framwork (MOF) sorbents.
Includes Grand Canonical Monte Carlo (GCMC) simulations, predictions of the Specific Heat Capacities (CV), and Intrinsic Direct Air Capture (DAC) calculations for MOF sorbents.
Modified:
Source: https://doi.org/10.5281/zenodo.14452152
Data associated with "Two-dimensional imaging of electromagnetic fields via light sheet fluorescence imaging with Rydberg atoms"
Data provided by National Institute of Standards and Technology
Data associated with the publication: "Two-dimensional imaging of electromagnetic fields via light sheet fluorescence imaging with Rydberg atoms"
Modified:
Data package for "A low-cost ultrasonic absorption spectrometer mainly using off-the-shelf parts"
Data provided by National Institute of Standards and Technology
Ultrasonic absorption data for magnesium sulfate, methylcellulose, scandium sulfate, and zinc chloride. See included README.txt for more info.
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Python Package for Generating LAMMPS Input Scripts for Alchemical Processes: generate_alchemical_lammps_inputs
Data provided by National Institute of Standards and Technology
The parsers featured in this module are constructed to parse LAMMPS output files, (i.e., dump files), containing data for given potential energy values (an approximation of the Hamiltonian), U_{𝞴,𝞴'}, at specified values of 𝞴 and 𝞴', where varies from one to zero scaling the potential between solute and solvent in a reversible manner. The system is equilibrated at a 𝞴-state and energy values are evaluated at alternative 𝞴 values denotes by, 𝞴'. Because generating the input files can be cumbersome, functions have been included to generate the appropriate sections.
Modified:
Source: https://github.com/usnistgov/generate_alchemical_lammps_inputs/
Polymer Builder Extension for MosDef-mBuild: mbuild_polybuild
Data provided by National Institute of Standards and Technology
When modeling polymers in simulations, building a simulation box is a consistent barrier. Although many tools now exist for that purpose, not one contains all features that one would desire. A more specific failing is the handling of the polymer tacticity. MosDef's mBuild [DOI: 10.1007/978-981-10-1128-3_5] offers the flexibility to account for this important aspect of polymer structure, although not readily. This package contains mBuild "recipies" for common polymer backbone chemistries as well as common functional groups.
Modified:
Source: https://github.com/usnistgov/mbuild_polybuild
Results for Experiments Assessing Directional Time-Dependent Interference Vulnerabilities in Closed-Box Wireless Systems
Data provided by National Institute of Standards and Technology
Measurements for experiments presented in the paper "Assessing Directional Time-Dependent Interference Vulnerabilities in Closed-Box Wireless Systems," IEEE Transactions on Electromagnetic Compatibility, vol. 67, no. 2, pp. 644-657, April 2025 (DOI: 10.1109/TEMC.2024.3466048). Data is provided for experiments involving tests of a commercial-off-the-shelf (COTS) point to point (PTP) microwave link and a COTS Wi-Fi system. See the README file for further details.
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LAMMPS Simulation Data of Alchemical Processes
Data provided by 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 to be used for the calculation of free energies using Multi-state Bennett Acceptance Ratio (MBAR), BAR, or Thermodynamic Integration (TI). These input files are only applicable for LAMMPS versions after April 2024. The four cases can be separated into two systems, benzene solvated in water, and a Lennard-Jones (LJ) dimer in solvent. These four cases are:
Modified:
