Applications of Parallel GAMESS

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1995-07-01
Authors
Gordon, Mark
Jensen, Jan
Schmidt, Michael
Windus, Theresa
Boatz, Jerry
Cundiari, Thomas
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Windus, Theresa
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Chemistry
Abstract

In this paper we discuss several recent applications that would have been difficult or impossible without the availability of the parallel implementation of the electronic structure code GAMESS. These applications include the study of highly strained rings, such as inorganic prismanes and bicyclobutanes, cage compounds such as cyclophanes and atranes, the neutral <-> zwitterion isomerization of glycine, transition metal-main group binding, and the implementation of parallel graphics.

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Reprinted (adapted) with permission from ACS Symposium Series, vol. 592, Parallel Computing in Computational Chemistry, chapter 3 (1995): 29, doi:10.1021/bk-1995-0592.ch003. Copyright 1995 American Chemical Society.

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Sun Jan 01 00:00:00 UTC 1995
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