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Retrieval and display of Gaussian log files from a digital repository
| Title: | Retrieval and display of Gaussian log files from a digital repository |
| Authors: | Rzepa, HS Mason, N Harvey, MJ |
| Item 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. 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. 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. |
| Issue Date: | 8-Sep-2014 |
| URI: | http://hdl.handle.net/10044/1/30290 |
| DOI: | http://dx.doi.org/10.6084/m9.figshare.1164282 |
| Keywords: | 10320/loc Computational Chemistry Cheminformatics |
| Appears in Collections: | Faculty of Natural Sciences - Research Data |
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