Unravelling strong temperature-dependence of J(HD) in transition metal hydrides: solvation and non-covalent interactions versus temperature-elastic H–H bonds

por Polukeev, Alexey V., Capelli, Silvia C., Wendt, Ola F.
Publicado 2023

Hirshfeld atom refinement

por Capelli, Silvia C., Bürgi, Hans-Beat, Dittrich, Birger, Grabowsky, Simon, Jayatilaka, Dylan
Publicado 2014

X-ray diffraction data as a source of the vibrational free-energy contribution in polymorphic systems

por Kofoed, Phillip Miguel, Hoser, Anna A., Diness, Frederik, Capelli, Silvia C., Madsen, Anders Østergaard
Publicado 2019

The spontaneous self-assembly of a molecular water pipe in 3D space

por Butler, Ian R., Evans, Daniel M., Horton, Peter N., Coles, Simon J., Parker, Stewart F., Capelli, Silvia C.
Publicado 2022