Calculation of the lattice energies and the energies of complexation of some paraquinones and parahydroquinones
Autor: | N. B. Chanh, H. G. M. de Wit, C. H. M. van der Klauw, J. L. Derissen, H. A. J. Govers |
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Rok vydání: | 1980 |
Předmět: | |
Zdroj: | Acta Crystallographica Section A. 36:490-492 |
ISSN: | 0567-7394 |
DOI: | 10.1107/s0567739480001015 |
Popis: | The lattice energies and the solid-state energies of eomplexation of a number of benzo- and naphtho- quinones and -hydroquinones are calculated by methods making use of atom-atom potentials. For the lattice energies, quantitative agreement with experimental data is satisfying. For the much smaller energies of complexation, qualitative agreement, with the right sign and of the right order of magnitude, is obtained. |
Databáze: | OpenAIRE |
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