Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone
Titel:
Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone
Auteur:
Reilly, Anthony M. Wann, Derek A. Gutmann, Matthias J. Jura, Marek Morrison, Carole A. Rankin, David W. H.
Verschenen in:
Journal of applied crystallography
Paginering:
Jaargang 46 (2013) nr. 3 pagina's 656-662
Jaar:
2013-06-01
Inhoud:
Uitgever:
International Union of Crystallography, 5 Abbey Square, Chester, Cheshire CH1 2HU, England