Cited References: 33       Times Cited: 0

Abstract:
We show that Grassmann algebra is an alternative tool for describing atomic group properties of large molecular systems by using the molecular fragments approach. We extend the bond index and charge fluctuation concepts to atomic groups and we connect them with the atomic group valence. We have calculated the valence, the bond indices and the total charge of some atomic groups, in order to show that these concepts can be considered as molecular invariants in the case of linear molecular systems.

KeyWords Plus:
CLASSICAL MECHANICS, BOND ORDERS, VALENCES

Addresses:
UFBA, INST FIS, R CAETANO MOURA 123, BR-40210 SALVADOR, BA, BRAZIL.
UFES, DEPT FIS & QUIM, BR-29000 VITORIA, ES, BRAZIL.

Publisher: ELSEVIER SCIENCE BV, AMSTERDAM

IDS Number:   LH860

ISSN:   0166-1280