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Computational chemist runs out of disk space

16 February 2008 - Bad luck

Computational chemistry requires big computers. A researcher from Trinity University, San Antonio was just barely able to complete his calculations on a gem-dimethyl effect problem.

A quote from his 2008 research paper in the Journal of Organic Chemistry DOI : Unfortunately, we lack sufficient disk space, but we were able to complete the computations at CCSD(T)/6-311+G(2d,p)//PBE1PBE/6-311+G(2df,2pd) with the PBE1PBE ZPVEs . Donations are welcome.