• Home
• About Us
  News Archive Partners Contact Us Acknowledgments
• Systems
  maya Other systems
• Research
  List of Projects Publications Posters Presentation Handout Supporting Materials
• Resources for HPCF Users
  System description Using your account Tutorial: Compiling C programs Scheduling rules Tutorial: Running programs Other Languages and Hardwares Other Packages General Productivity Usage rules Account request form Help request

The heat of formation of a compound is among the most important quantities in the chemical understanding of that species. Nonetheless, of the 80 million or so known species containing carbon (organic compounds), this quantity is known from experiment for about only 10 thousand. On many occasions I have needed information about a specific compound for my chemical research and many times the data have never been determined. This is even more the case when the compound itself is unknown. Calculational quantum chemistry provides both the mathematical and the computational framework to obtain the necessary numerical data so that I and others in chemistry and other related sciences can achieve the more qualitative understanding that is the characterizing strength of my interdisciplinary, international research.