Basic Understanding of Crystal Structures

Sometimes we just want to ask basic questions about crystal structures. The results of these studies help us interpret the results of all of our computational studies of molecular crystals, and feed into our method development.

Norbert M Villeneuve, Joshua Dickman, Thierry Maris, Graeme M Day, James D Wuest 

Crystal Growth & Design, 23, 273-288 (2023).

Miloslav Torda, John Y Goulermas, Vitaliy Kurlin, Graeme M Day 

Physical Review E, 106, 054603 (2022).

Eric C. Dybeck, David P Mcmahon, Graeme M. Day and Michael R. Shirts

Crystal Growth & Design, 19, 5568-5580 (2019)

Christopher R. Taylor and Graeme M. Day

Crystal Growth & Design, 18, 892-904 (2018)

Jonas Nyman and Graeme M. Day

Physical Chemistry Chemical Physics, 18, 31132-31143 (2016)

Jonas Nyman and G. M. Day

CrystEngComm, 17, 5154-5165 (2015)

selected as a HOT article and one of the most downloaded articles in CrystEngComm

D. S. Palmer, A. Llinas, I. Morao, <B>G. M. Day</B>, J. M. Goodman, R. C. Glen and J. B. O. Mitchell

Molecular Pharmaceutics, 5, 266-279 (2008)