Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation by Milman, V, Refson, K, Clark, S, Pickard, C, Yates, JR, Gao, S, Hasnip, P, Probert, M, Perlov, A, Segall, MD

Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation by Milman, V, Refson, K, Clark, S, Pickard, C, Yates, JR, Gao, S, Hasnip, P, Probert, M, Perlov, A, Segall, MD

Time averaging of NMR chemical shifts in the MLF peptide in the solid state. by De Gortari, I, Portella, G, Salvatella, X, Bajaj, V, van der Wel, P, Yates, JR, Segall, MD, Pickard, C, Payne, M, Vendruscolo, M