Some potentials describing electrostatic interactions between oxygen and sodium, potassium, rubidium and caesium ions are tested in known organic crystal structures. The atomic and ionic coordinates may be predicted satisfactorily by locating the deepest minimum of the potential energy which depends on rotational and translational degrees of freedom.
Van der Waals and electrostatic interactions in crystals / G., Capaccio; Giacomello, Pierluigi; Giglio, Edoardo. - In: ACTA CRYSTALLOGRAPHICA. SECTION A, CRYSTAL PHYSICS, DIFFRACTION, THEORETICAL AND GENERAL CRYSTALLOGRAPHY. - ISSN 0567-7394. - STAMPA. - 27:3(1971), pp. 229-233. [10.1107/s0567739471000536]
Van der Waals and electrostatic interactions in crystals
GIACOMELLO, Pierluigi;GIGLIO, Edoardo
1971
Abstract
Some potentials describing electrostatic interactions between oxygen and sodium, potassium, rubidium and caesium ions are tested in known organic crystal structures. The atomic and ionic coordinates may be predicted satisfactorily by locating the deepest minimum of the potential energy which depends on rotational and translational degrees of freedom.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
