Calculations of solid-state 43...

Journal of Computational Chemistry 2017 / 05 Vol. 38; Iss. 13

Calculations of solid-state 43 Ca NMR parameters: A comparison of periodic and cluster approaches and an evaluation of DFT functionals

Holmes, Sean T., Bai, Shi, Iuliucci, Robbie J., Mueller, Karl T., Dybowski, Cecil
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Volume:
38
Language:
english
Journal:
Journal of Computational Chemistry
DOI:
10.1002/jcc.24763
Date:
May, 2017
File:
PDF, 598 KB
english, 2017
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