First-Principles Calculation of NMR Parameters Using the Gauge Including Projector Augmented Wave Method: A Chemist’s Point of View. Bonhomme, C., Gervais, C., Babonneau, F., Coelho, C., Pourpoint, F., Azaïs, T., Ashbrook, S. E., Griffin, J. M., Yates, J. R., Mauri, F., & Pickard, C. J. Chemical Reviews, 112(11):5733–5779, November, 2012.
Paper doi bibtex @article{bonhomme_first-principles_2012,
title = {First-{Principles} {Calculation} of {NMR} {Parameters} {Using} the {Gauge} {Including} {Projector} {Augmented} {Wave} {Method}: {A} {Chemist}’s {Point} of {View}},
volume = {112},
issn = {0009-2665},
url = {http://pubs.acs.org/doi/10.1021/cr300108a},
doi = {10.1021/cr300108a},
number = {11},
journal = {Chemical Reviews},
author = {Bonhomme, Christian and Gervais, Christel and Babonneau, Florence and Coelho, Cristina and Pourpoint, Frédérique and Azaïs, Thierry and Ashbrook, Sharon E. and Griffin, John M. and Yates, Jonathan R. and Mauri, Francesco and Pickard, Chris J.},
month = nov,
year = {2012},
pages = {5733--5779},
}
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