Article
Applications of Parallel GAMESS
Parallel Computing in Computational Chemistry
Document Type
Book Chapter
Disciplines
Publication Version
Published Version
Publication Date
7-1-1995
DOI
10.1021/bk-1995-0592.ch003
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.
Copyright Owner
American Chemical Society
Copyright Date
1995
Language
en
File Format
application/pdf
Citation Information
Kim K. Baldridge, Mark S. Gordon, Jan H. Jensen, Nikita Matsunaga, et al.. "Applications of Parallel GAMESS" Parallel Computing in Computational Chemistry (1995) p. 29 - 46 Available at: http://works.bepress.com/theresa-windus/9/
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.