Ions in Crystals: The Topology of the Electron Density in Ionic Materials. 4. The Danburite (CaB₂Si₂O₈) Case and the Occurrence of Oxide−Oxide Bond Paths in Crystals

This publication has 73 references indexed in Scilit:

• Rigorous characterization of oxygen vacancies in ionic oxides
  Physical Review B, 2002
• Quantum mechanical cluster calculations of ionic materials: Revision 10 of theab initio Perturbed Ion program
  Computer Physics Communications, 1997
• The electronic structure of Cr2+,4+ in fluoride host materials
  The Journal of Chemical Physics, 1995
• Local Relaxation Effects in the Crystal Structure of Vanadium-Doped Zircon. An ab Initio Perturbed Ion Calculation
  The Journal of Physical Chemistry, 1994
• Quantum mechanical cluster calculations of ionic materials: the ab initio perturbed ion (version 7) program
  Computer Physics Communications, 1993
• Simulation of ionic crystals: Theab initioperturbed-ion method and application to alkali hydrides and halides
  Physical Review B, 1990
• Simulation of ionic transition-metal crystals: The cluster model and the cluster-lattice interaction in the light of the theory of electronic separability
  Physical Review B, 1989
• An analysis of the hydrogen bond in BASE-HF complexes using the theory of atoms in molecules
  Molecular Physics, 1988
• Roothaan-Hartree-Fock atomic wavefunctions
  Atomic Data and Nuclear Data Tables, 1974
• The Tungstic Acids
  Journal of the American Chemical Society, 1959