@article { ISI:000072889100006,
	title = {Charge directed reactivity: a simple electronic model, exhibiting site selectivity, for the dissociation of ions},
	journal = {CHEMICAL PHYSICS LETTERS},
	volume = {285},
	year = {1998},
	month = {MAR 13},
	pages = {25-33},
	abstract = {A Huckel-type effective Hamiltonian is used to examine the conditions for site-selected reactivity. The example is the dissociation of a positive ion, as in mass spectrometry. Coupling to the dissociative channels is included by a rate operator. We examine the time evolution of the charge and bond order matrices and of the yield of fragments following a localized initial ionization. Dissociation is found to follow the (positive) charge. Variations in the local properties can markedly change the dissociation pattern. A more statistical limit is reached when the migration of charge is unimpeded. (C) 1998 Elsevier Science B.V.},
	issn = {0009-2614},
	doi = {10.1016/S0009-2614(97)01314-6},
	author = {Remacle, F. and LEVINE, RD and M.A. Ratner}
}
