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    • Active thermo chemical tables: thermochemistry for the 21st century 

      Ruscis, Branko; Pinzón, Reinhardt; von Laszewski, Gregor; Kodeboyina, Deepti; Burcat, Alexander; Leahy, David; Montoy, David; Wagner, Albert F (2005-12)
      Active Thermochemical Tables (ATcT) are a good example of a significant breakthrough in chemical science that is directly enabled by the US DOE SciDAC initiative. ATcT is a new paradigm of how to obtain accurate, reliable, ...