346 datasets found for "chemistry"
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Federal
LAMMPS Simulation Data of Alchemical Processes
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... -
Federal
NIST Computational Chemistry Comparison and Benchmark Database - SRD 101
National Institute of Standards and Technology —
The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of gas-... -
Federal
NIST-JANAF Thermochemical Tables - SRD 13
National Institute of Standards and Technology —
The Fourth Edition to the NIST-JANAF Thermochemical Tables has been assembled under the sponsorship of the Standard Reference Data Program at the National Institute... -
Federal
The NBS Tables of Chemical Thermodynamic Properties: Selected Values for Inorganic and C1 and C2 Organic Substances in SI Units
National Institute of Standards and Technology —
Recommended values are provided for chemical thermodynamic properties of inorganic substances and for organic substances usually containing only one or two carbon... -
Federal
NIST Synthetic Polymer MALDI Methods Database
National Institute of Standards and Technology —
This resource consists of methods for matrix-assisted laser desorption ionization (MALDI) mass spectrometry on a wide variety of synthetic polymers. The methods are... -
Federal
NIST/ASME Steam Properties Database - SRD 10
Department of Commerce —
The NIST/ASME Steam Properties Database is based upon the International Association for the Properties of Water and Steam (IAPWS) 1995 formulation for general and... -
Federal
NIST SRD 46. Critically Selected Stability Constants of Metal Complexes: Version 8.0 for Windows
National Institute of Standards and Technology —
This version of NIST Standard Reference Database 46 is a major enhancement to this widely used database which provides comprehensive coverage of interactions for... -
Federal
IUPAC/NIST Solubility Database - SRD 106
National Institute of Standards and Technology —
The IUPAC Solubility Data Series Volumes 1-103 (1979 to 2014) are made available online. Volumes 1-19 and 39-65 are available as scanned and OCR'd single PDF files.... -
Federal
NIST Chemical Kinetics Database
National Institute of Standards and Technology —
The NIST Chemical Kinetics Database includes essentially all reported kinetics results for thermal gas-phase chemical reactions. The database is designed to be... -
Federal
NIST Reference Fluid Thermodynamic and Transport Properties Database (REFPROP) Version 9 - SRD 23
National Institute of Standards and Technology —
**NOTICE: THIS VERSION OF REFPROP (9.1) has been superseded by Version 10: https://doi.org/10.18434/T4/1502528 ** NIST Standard Reference Data 23 contains revised... -
Federal
NIST Chemistry WebBook - SRD 69
National Institute of Standards and Technology —
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... -
Federal
NIST/ASME Steam Properties Database - SRD 10
National Institute of Standards and Technology —
The NIST/ASME Steam Properties Database is based upon the International Association for the Properties of Water and Steam (IAPWS) 1995 formulation for general and... -
Federal
ThermoData Engine free public version
National Institute of Standards and Technology —
A computer program for accessing and visualization of thermodynamic and transport property data for chemical compounds and mixtures available at the TRC/NIST ThermoML... -
Federal
ThermoML/Data Archive
National Institute of Standards and Technology —
ThermoML is an XML-based IUPAC standard for the storage and exchange of experimental thermophysical and thermochemical property data. The ThermoML archive is a subset... -
Federal
EC-SERS (Electrochemical Surface-Enhanced Raman Spectroscopy) Spectral Database of Drug and Adulterant Compounds in relation to the manuscript "Novel Electrochemical Surface-Enhanced Raman Spectroscopy: Developing a Spectral Database for Future Forensic Drug Chemistry Libraries."
National Institute of Standards and Technology —
This data set contains the spectral data associated with the collection of EC-SERS spectra using mainly a nontargeted drug identification approach, with several... -
Federal
NIST Thermophysical Properties of Hydrocarbon Mixtures Database- SRD 4
National Institute of Standards and Technology —
SUPERTRAPP is an interactive computer program for predicting thermodynamic and transport properties of pure fluids and fluid mixtures containing up to 20 components.... -
Federal
NIST alloy data
National Institute of Standards and Technology —
The NIST Alloy data web application (https://trc.nist.gov/metals_data) provides access to thermophysical property data with a focus on unary, binary, and ternary... -
Federal
NIST Computational Chemistry Comparison and Benchmark Database - SRD 101
Department of Commerce —
The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of gas-... -
Federal
NIST Reference Fluid Thermodynamic and Transport Properties Database (REFPROP) Version 9 - SRD 23
Department of Commerce —
**NOTICE: THIS VERSION OF REFPROP (9.1) has been superseded by Version 10: https://doi.org/10.18434/T4/1502528 ** NIST Standard Reference Data 23 contains revised... -
Federal
NIST Atomic Weights and Isotopic Compositions with Relative Atomic Masses
National Institute of Standards and Technology —
The atomic weights are available for elements 1 through 118 and isotopic compositions or abundances are given when appropriate. Version 3.0.
346 datasets found for "chemistry"