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Chemistry

Chemistry SRDs by Subtopic

Analytical and Chemical Data
SRD 1A

NIST/EPA/NIH Mass Spectral Library

This database is the product of an ongoing comprehensive evaluation and expansion of the world's most widely used mass spectral reference library.  Read More

SRD 69

NIST Chemistry WebBook 

The Chemistry WebBook provides internet access to a variety of physical and chemical property data on well-defined chemical species and reactions. Read More

SRD 73 REFLEAK: NIST Leak/Recharge Simulation Program for Refrigerant Blends

REFLEAK estimates composition changes of zeotropic mixtures in leak and recharge processes in industrial applications such as distillation, refrigeration, and cleaning processes. Read More
SRD 101

NIST Computational Chemistry Comparison and Benchmark Database 

This database contains experimental and computed (quantum mechanics) thermochemical data for a selected set of nearly 1,900 gas-phase atoms and small molecules. Read More

SRD 147 NIST Ionic Liquids Database - ILThermo

ILThermo is a database of chemical and physical properties of ionic liquids searchable by means of the ions constituting the ionic liquids, the ionic liquids themselves, their properties, and references. Read More
SRD 204

NIST Polycyclic Aromatic Hydrocarbon Structure Index

This database provides the following information for hundreds of polycyclic aromatic hydrocarbon molecules: compound information, 3d models, thermochemistry, and UV-Vis spectra. Read More

 

 

Biochemistry and Biotechnology
SRD 1C

NIST Peptide Tandem Mass Spectral Libraries

NIST peptide libraries are comprehensive, annotated mass spectral reference collections for various organisms and proteins useful for the rapid matching and identification of acquired tandem mass spectrometry (MS/MS) spectra. Read More

SRD 74

Thermodynamics of Enzyme-Catalyzed Reactions Database

This SRD contains thermodynamic data for enzyme-catalyzed reactions that are searchable via a novel rule and root based algorithmic method. Read More

SRD 165

NIST Semantics for Biological Data Resource: Cell Image Database

This database contains results of controlled cell image experiments on A-10 rat smooth muscle and NIH-3T3 mouse fibroblasts. A novel rule- and root-based method is used to generate experimental metadata. Read More

 

 

Chemical Kinetics
SRD 40

NDRL/NIST Solution Kinetics Database on the Web

This database enables determination of kinetics data on solution-phase reactions through a search form in which reactant(s), product(s), and/or solvent(s) are inputted. Read More

 

Thermochemical Data
SRD 10 NIST/ASME Steam Properties Database 

The thermodynamic properties of water, based on international standards over a wide range of conditions, are presented in this database. Read More
SRD 13

NIST JANAF Thermochemical Tables

This database provides tables of enthalpies (H) and Gibbs energies of formation (G) for more than 1,000 chemical species in solid, liquid, and gas phases. Changes in H and G can be predicted for any reactions among the chemical species. Read More

SRD 23 NIST Reference Fluid Thermodynamic and Transport Properties Database  

REFPROP is an acronym for REFerence fluid PROPerties. This program calculates the thermodynamic and transport properties of industrially important fluids and their mixtures. Read More
SRD 69

NIST Chemistry WebBook

The Chemistry WebBook provides internet access to a variety of physical and chemical property data on well-defined chemical species and reactions. Read More

SRD 103a

NIST ThermoData Engine Database Version 2.5 - Pure Compounds

The NIST/TRC SOURCE data archival system is used in conjunction with the ThermoData Engine as a comprehensive storage facility for experimental thermophysical and thermochemical property data for approximately 23,000 pure compounds. Read More

SRD 103b

NIST ThermoData Engine Database Version 9.0 - Pure Compounds and Binary Mixtures

The NIST/TRC SOURCE data archival system,is used in conjunction with the ThermoData Engine as a comprehensive storage facility for experimental thermophysical and thermochemical property data for pure compounds, binary and ternary mixtures, and chemical reactions.   Read More

SRD 202

NIST/TRC Web Thermo Tables (WTT) - Lite Edition

Web Thermo Tables - Lite provides access to a collection of thermodynamic property data for 150 commonly-used pure compounds with a primary focus on organics. Read More

SRD 203 NIST/TRC Web Thermo Tables (WTT) - Professional Edition This database provides the following information for hundreds of polycyclic aromatic hydrocarbon molecules: compound information, 3d models, thermochemistry, and UV-Vis spectra. Read More

 

Thermophysical Properties
SRD 103a

NIST ThermoData Engine Database Version 2.5 - Pure Compounds

The NIST/TRC SOURCE data archival system is used in conjunction with the ThermoData Engine as a comprehensive storage facility for experimental thermophysical and thermochemical property data for approximately 23,000 pure compounds. Read More

SRD 103b

NIST ThermoData Engine Database Version 9.0 - Pure Compounds and Binary Mixtures

The NIST/TRC SOURCE data archival system, is used in conjunction with the ThermoData Engine as a comprehensive storage facility for experimental thermophysical and thermochemical property data for pure compounds, binary and ternary mixtures, and chemical reactions.   Read More

SRD 106

IUPAC-NIST Solubility Database

This data, extracted from the IUPAC–NIST Solubility Data Series, contains more than 67,500 entries of mutual solubilities and liquid-liquid equilibria of binary, ternary and quaternary systems. Read More

SRD 202

NIST/TRC Web Thermo Tables (WTT) - Lite Edition

Web Thermo Tables - Lite provides access to a collection of thermodynamic property data for 150 commonly-used pure compounds with a primary focus on organics. Read More

SRD 203

NIST/TRC Web Thermo Tables (WTT) - Professional Edition

Web Thermo Tables - Professional Edition contains thermodynamic data on 23399 compounds and includes some non-molecular species such as radicals and organic salts. Read More

 

X-Ray Photoelectron and Auger Electron Analysis
SRD 20

X-ray Photoelectron Spectroscopy Database

This database contains over 22,000 line positions, chemical shifts, doublet splittings, and energy separations of photoelectron and Auger-electron spectral lines, and is searchable by element, line type, line energy, and many other variables. Read More

SRD 64

NIST Electron Elastic-Scattering Cross-Section Database

This database provides values of differential elastic-scattering, total elastic-scattering, and transport cross-sections for elements with atomic numbers from 1 to 96 needed for quantitative analysis by Auger-electron spectroscopy, X-ray photoelectron spectroscopy, electron microprobe analysis, and analytical electron microscopy. Read More

SRD 71

NIST Electron Inelastic-Mean-Free-Path Database

This database provides values of electron-inelastic mean free paths for elements, inorganic compounds, and organic compounds that are used in quantitative surface analyses by Auger-electron spectroscopy and X-ray photoelectron spectroscopy. Read More

SRD 82

NIST Electron Effective-Attenuation-Length Database

This database provides values of electron-effective attenuation lengths in solid elements and compounds at selected electron energies for surface analysis by Auger-electron spectroscopy and X-ray photoelectron spectroscopy. Read More

SRD 100

NIST Database for the Simulation of Electron Spectra for Surface Analysis (SESSA)

SESSA can be used to simulate Auger-electron spectroscopy and X-ray photoelectron spectroscopy spectra of multilayer thin films and nanostructures such as islands, lines, and spheres on surfaces. Read More

SRD 154

NIST Backscattering-Correction-Factor Database for Auger Electron Spectroscopy

This database contains values of backscattering correction factors of homogeneous materials for quantitative surface analyses by Auger electron spectroscopy.

SRD 164

NIST Database of Cross Sections for Inner-Shell Ionization by Electron or Positron Impact

This database provides cross-sections for ionization of the K shell and of the L and M sub-shells in neutral atoms of the elements, from hydrogen to einsteinium, by electron and positron impact. Read More

Created May 24, 2016, Updated October 3, 2018