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Chemistry
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and Molecular Physics
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and Crystal Structure
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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. |
Atomic
Spectral Database, Online, DG*
Atomic
Weights and Isotopic Compositions, Online, DG*
NIST Chemistry WebBook, Online,
DG*
ChemRate,
free download
CKMech, Online, DG*
Computational
Chemistry Comparison and Benchmark Database, Online, DG*
Desk
Top Spectrum Analyzer and X-Ray Database, free to download*
Elemental
Data Index, Online, DG*
Fundamental
Physical Constants, Online, DG*
NIST
Interactive Algorithm for Isotopic CO2 Measurements, Online, DG
*
NIST
Database for the Isotopic Composition of Selected Atmospheric Constituents,
Online, DG*
NIST ITS-90 Thermocouple
Database, Online, DG*
Polycyclic Aromatic Hydrocarbon Structure
Index, Online, DG*
Radionuclide
Half-life Measurements, Online*
Database of Thermophysical
Properties of Gases Used in the Semiconductor Industry, Online, DG
*
NIST X-ray Photoelectron Spectroscopy
Database, Online, PC, DG*
NIST Crystal Data, PC*
NIST Gas-Phase Infrared Database, JCAMP Format, PC,
DG*
NIST/EPA/NIH Mass Spectral Library, NIST '02, ASCII
Version PC, DG*
NIST/EPA/NIH Mass Spectral Library: NIST '02, PC,
DG*
NIST
Quantitative Infrared Database, PC, DG*
NIST/Sandia/ICDD Electron Diffraction Database, PC,
DG*
NIST Surface Structure Database, PC, DG*
Lispix
Program
TRYZAF
Program
Diatomic
Spectral Database, Online, DG*
Hydrocarbon
Spectral Database, Online, DG*
Triatomic Spectral Database, Online, DG*
IUPAC-NIST
Solubility Database Online, DG*
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