On the reticular construction concept of covalent organic frameworks

• Binit Lukose,
• Agnieszka Kuc,
• Johannes Frenzel and
• Thomas Heine

Beilstein J. Nanotechnol. 2010, 1, 60–70, doi:10.3762/bjnano.1.8

• total energy in the Density-Functional Theory (DFT) with respect to charge density fluctuations. This can be considered as a non-orthogonal tight-binding method parameterized from DFT, which does not require large amounts of empirical parameters, however, maintains all the qualities of DFT. The main