EFGShield, ver. 4.0 - new version with GUI now available for Gaussian, CASTEP, and ADF files
EFGShield, ver. 4.0 - new version with GUI now available for Gaussian, CASTEP, and ADF files
Dear colleague, “EFGShield” is our software for the parsing and analysis of shielding and EFG data from Gaussian output files. Thanks to the work of my students Nuiok Dicaire and Fred Perras, I am pleased to announce that a new and improved version of EFGShield with a GUI is now available. There are many advantages to the new version which are summarized in the attached pdf. Most importantly, CASTEP and ADF output files can now be used in addition to Gaussian files. Instructions are also provided in the attached pdf. I encourage you to download the new version and hope you find it useful. Please go to my website and click on the “Software” link in the menu on the left. http://mysite.science.uottawa.ca/dbryce/ Regards, Dave Bryce ** ** Prof. David L. Bryce, Ph.D. Department of Chemistry 10 Marie Curie Private University of Ottawa Ottawa, Ontario K1N6N5 Canada Phone 613-562-5800 ext 2018 Fax 613-562-5170 Email [dbryce "at" uottawa.ca] Web http://mysite.science.uottawa.ca/dbryce/ Associate Editor Canadian Journal of Chemistry http://www.nrcresearchpress.com/journal/cjc Read complete story on NMR900 blog |
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