Encyclopedia of Magnetic Resonance: new entries

eMagRes (2013) volume 2, issue 3

A.J. Simpson, D. Courtier-Murias, J.G. Longstaffe, H. Masoom, R. Soong, L. Lam, A. Sutrisno, H. Farooq, M.J. Simpson, W.E. Maas, M. Fey, B. Andrew, J. Struppe, H. Hutchins, S. Krishnamurthy, R. Kumar, M. Monette, H.J. Stronks, "Environmental Comprehensive Multiphase NMR," eMagRes 2 (2013) 399–414. http://dx.doi.org/10.1002/9780470034590.emrstm1337

W.L. Meerts, C.A. de Lange, A.C.J. Weber, E.E. Burnell, "Analysis of Complex High-Resolution NMR Spectra by Sophisticated Evolutionary Strategies," eMagRes 2 (2013) 437–450. http://dx.doi.org/10.1002/9780470034590.emrstm1309

CrystEngComm themed issue on NMR Crystallography

issue 43, 21 November 2013, Page 8589 to 8850

guest-edited by John A. Ripmeester (NRC) and Roderick E. Wasylishen (Alberta)

Canadian contributions

J.A. Ripmeester and R.E. Wasylishen, "NMR crystallography," (Editorial) CrystEngComm 15 (2013) 8598-8598. http://dx.doi.org/10.1039/c3ce90151c

L. O'Dell, R. He and J. Pandohee, "Identifying H-N proximities in solid-state NMR using 14N overtone irradiation under fast MAS," CrystEngComm 15 (2013) 8657-8667. (Cover Article) http://dx.doi.org/10.1039/c3ce40967h

F.A. Perras, I. Korobkov and D.L. Bryce, "NMR Crystallography of Sodium Diphosphates: Combining Dipolar, Shielding, Quadrupolar, Diffraction, and Computational Information," CrystEngComm 15 (2013) 8727-8738. http://dx.doi.org/10.1039/c3ce40875b

B. Zhou, V.K. Michaelis, S. Kroeker, J.E.C. Wren, Y. Yao, B.L. Sherriff, and Y. Pan, "11B and 23Na Solid-State NMR and Density Functional Theory Studies of Electric Field Gradients at Boron Sites in Ulexite," CrystEngComm 15 (2013) 8739-8747. http://dx.doi.org/10.1039/c3ce41251b

D.H. Brouwer and K.P. Langendoen, "A graph theory approach to structure solution of network materials from two-dimensional solidstate NMR data," CrystEngComm 15 (2013) 8748-8762. http://dx.doi.org/10.1039/c3ce41058g  P.J. Pallister, I.L. Moudrakovski, G.D. Enright and J.A. Ripmeester, "Structural assessment of anhydrous sulfates with high field 33S solid state NMR and first principles calculations," CrystEngComm 15 (2013) 8808-8822. http://dx.doi.org/10.1039/c3ce41233d

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