NMR900 blog EFGShield, ver. 4.0 - new version with GUI now available for Gaussian, CASTEP, and ADF files

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[NMR900 blog] EFGShield, ver. 4.0 - new version with GUI now available for Gaussian, CASTEP, and ADF files

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10-03-2013, 02:41 AM

nmrlearner

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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

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