NIST Data Gateway providing easy access to collections of NIST standard reference data NIST Home Page
Gateway Home
Search by: [Keyword] [Property] [Substance Name]
[JPCRD]    Help  
NIST Standard Reference Data
NIST Free Online Databases
+ List
+ Descriptions
Databases for Purchase
+ PC Products
+ Online Subscription Databases
+ New Phase Equilibria Diagrams - Order Now!
Feedback/Comments
Version History
Privacy Policy/Security
Notice/Accessibility Statement
NIST Disclaimer
Copyright for NIST Standard Reference Data is governed by the Standard Reference Data Act
Results of Keyword Search:
2 databases found for ab initio.
glass ball SRD 101 NIST Computational Chemistry Comparison and Benchmark Database (Web, free access)  Keywords for Database
The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of molecules. The goals are to provide a benchmark set of molecules for the evaluation of ab initio computational methods and allow the comparison between different ab initio computational methods for the prediction of thermochemical properties.
glass ball SRD 143 NIST Potential Energy Surface Database of Group II Dimer (Web, free access)  Keywords for Database
This database provides critical atomic and molecular data needed in order to evaluate the feasibility of using laser cooled and trapped Group II atomic species (Mg, Ca, Sr, and Ba) for ultra-precise optical clocks or quantum information processing devices.


Last modified: November 6, 2008 (Created: November 9, 2001)
For questions or comments: Contact Us