화학공학소재연구정보센터
Chemical Physics Letters, Vol.442, No.1-3, 157-163, 2007
Covalent bond indices and ionicities from similarity measures
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 Bray-Curtis and divergence measures are reported and discussed in selected molecules. The procedure opens new possibilities to define and to relate complementary quantities. (c) 2007 Elsevier B.V. All rights reserved.