Computational Chemistry Comparison and Benchmark DataBase
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Release 22 | May 2022 |
NIST Standard Reference Database 101 |
I | Introduction |
II | Experimental data |
III | Calculated data |
IV | Data comparisons |
V | Cost comparisons |
VI | Input and output files |
VII | Tutorials and Units |
VIII | Links to other sites |
IX | Feedback |
X | Older CCCBDB versions |
XII | Geometries |
XIII | Vibrations |
XIV | Reaction data |
XV | Entropy data |
XVI | Bibliographic data |
XVII | Ion data |
XVIII | Bad calculations |
XIX | Index of properties |
XX | H-bond dimers |
XXI | Oddities |
The National Institute of Standards and Technology (NIST) is an agency of the U.S. Department of Commerce.
Please send questions, comments, corrections, additions and suggestions to cccbdb@nist.gov.