INVESTIGADORES
ALCOBA Diego Ricardo
artículos
Título:
Covalent bond indices and ionicities from similarity measures
Autor/es:
D.R. ALCOBA; R.C. BOCHICCHIO; L. LAIN; A. TORRE
Revista:
CHEMICAL PHYSICS LETTERS
Editorial:
Elsevier B.V.
Referencias:
Lugar: Amsterdam; Año: 2007 vol. 442 p. 157 - 163
ISSN:
0009-2614
Resumen:
This work proposes the use of the mathematical concepts of similarity and distance in metric spaces to relate the covalency and ionicity indices of chemical bondings. Numerical results arising from the BrayCurtis and divergence measures are reported and discussed in selected molecules. The procedure opens new possibilities to define and to relate complementary quantities.
