Campus Units

Chemistry

Document Type

Book Chapter

Publication Version

Published Version

Publication Date

7-1995

Journal or Book Title

Parallel Computing in Computational Chemistry

First Page

29

Last Page

46

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.

Comments

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.

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

Included in

Chemistry Commons

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