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Retrieval and display of Gaussian log files from a digital repository
Author(s)
Rzepa, HS
Mason, N
Harvey, MJ
Type
Dataset
Abstract
A procedure for querying metadata records of the type  10320/loc associated with a DSpace digital repository to retrieve a specified  Gaussian Log file and to view the computed molecule in JSmol.
Date Issued
2014-09-08
Citation
2014
URI
DOI
Subjects
10320/loc
Computational Chemistry
Cheminformatics