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

Journal Article

Journal of Computational Chemistry, vol. 38, iss. 13, pp. 949-956, 2017

Authors

Sean T. Holmes, Shi Bai, Robbie J. Iuliucci, Karl T. Mueller, Cecil Dybowski

Language English

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