Lots of news this month as we work toward the next release. Many of these updates are thanks to users beginning to use DIMSpec "in the wild", partly in association with the recently completed NIST ...
This work provides a curated database of experimental and calculated hydration free energies for small molecules in water, along with experimental values and input files. Experimental values are taken ...
Some results have been hidden because they may be inaccessible to you
Show inaccessible results