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Chemistry

NIST has long been developing and compiling benchmark data for the properties of important substances, classes of substances and systems. It's data collections, data prediction methods and models meet high priority industrial and national needs. The following list of databases contribute to U.S. industry's productivity and competitiveness and improve public health, safety and environmental quality.

The codes in the list below have the following meanings:

PC PC product, most available for purchase, some are free
Online Free online system
DG Inclusion in the NIST Data Gateway - a portal providing access to many NIST scientific and technical databases. It is searchable by keyword, property, or substance name.
* Product contains data that have undergone rigorous critical evaluation by experienced researchers who recommend best values.
Online Subscription Product is a yearly subscription web product.

SRD 78 Atomic Spectra Database, Online, DG, *
SRD 144 Atomic Weights and Isotopic Compositions, Online, DG, *
SRD 69 NIST Chemistry WebBook, Online, DG, *
SRD 163 CKMech, Online, DG, *
SRD 101 Computational Chemistry Comparison and Benchmark Database, Online, DG, *
SRD 36 Desk Top Spectrum Analyzer and X-Ray Database, free to download, *
SRD 105 Elemental Data Index, Online, DG, *
SRD 121Fundamental Physical Constants, Online, DG, *
NIST Interactive Algorithm for Isotopic CO2 Measurements, Online, DG, *
SRD 60 NIST ITS-90 Thermocouple Database, Online, DG, *
SRD 104 Polycyclic Aromatic Hydrocarbon Structure Index, Online, DG, *
SRD 120 Radionuclide Half-life Measurements, Online, *
SRD 134 Database of Thermophysical Properties of Gases Used in the Semiconductor Industry, Online, DG, *
SRD 20 NIST X-ray Photoelectron Spectroscopy Database 4.1, Online, PC, DG, *
SRD 3 NIST Crystal Data, PC, *
SRD 35 NIST Gas-Phase Infrared Database, JCAMP Format, PC, DG, *
SRD 1a NIST/EPA/NIH Mass Spectral Library:with Search Software NIST '11, PC, DG, *
Lispix Program
TRYZAF Program
SRD 114 Diatomic Spectral Database, Online, DG, *
SRD 115 Hydrocarbon Spectral Database, Online, DG, *
SRD 117 Triatomic Spectral Database, Online, DG, *
SRD 106 IUPAC-NIST Solubility Database, Online, DG, *
SRD 100 NIST Database for the Simulation of Electron Spectra for Surface Analysis (SESSA), PC, DG, *
SRD 31 Phase Equilibria Diagrams Database, PC, DG, *