Datasets
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NIST XCOM: Photon Cross Sections Database - SRD 8
A web database is provided which can be used to calculate photon cross sections for scattering, photoelectric absorption and pair production, as well as total attenuation... -
NIST Thermophysical Properties of Hydrocarbon Mixtures Database- SRD 4
SUPERTRAPP is an interactive computer program for predicting thermodynamic and transport properties of pure fluids and fluid mixtures containing up to 20 components. The... -
FIZ/NIST Inorganic Crystal Structure Database (ICSD) - SRD 84
The Inorganic Crystal Structure Database (ICSD) is produced cooperatively by the Fachinformationszentrum Karlsruhe (FIZ) and the National Institute of Standards and Technology... -
NIST Web Thermo Tables (WTT) - Professional Edition - SRD 203
The Web Thermo Tables (WTT) are a collection of critically evaluated thermodynamic property data for pure compounds with a primary focus on organics. These data were generated... -
NIST Interatomic Potentials Repository
This repository provides a source for interatomic potentials (force fields), related files, and evaluation tools to help researchers obtain interatomic models and judge their... -
NIST Chem-BLAST Gateway for PDB
Chemical Block Layered Alignment of Substructure or Chem-BLAST uses a method for finding chemical compounds within a large collection. In this method, all chemical compounds are... -
NIST Atomic Spectra Database - SRD 78
This database provides access and search capability for NIST critically evaluated data on atomic energy levels, wavelengths, and transition probabilities that are reasonably up-... -
NIST Chemistry WebBook - SRD 69
The NIST Chemistry WebBook provides users with easy access to chemical and physical property data for chemical species through the internet. The data provided in the site are... -
NIST Chemical Kinetics Database
The NIST Chemical Kinetics Database includes essentially all reported kinetics results for thermal gas-phase chemical reactions. The database is designed to be searched for...