@article { ISI:000269379600048,
	title = {Ionization of N2O4 in Contact with Water: Mechanism, Time Scales and Atmospheric Implications},
	journal = {JOURNAL OF THE AMERICAN CHEMICAL SOCIETY},
	volume = {131},
	year = {2009},
	month = {SEP 2},
	pages = {12180-12185},
	abstract = {Ionization of N2O4 in and on thin water films on surfaces is believed to be a key step in the hydrolysis of NO2 which generates HONO, a significant precursor to the OH free radical in the lower atmosphere. Molecular dynamics simulations using {\textquoteleft}{\textquoteleft}on the fly{\textquoteright}{\textquoteright} high-level MP2 potentials are carried out for ONONO2 center dot(H2O)(n) clusters, n = 3, ionization is essentially immediate, implying that the neutral species does not have sufficient lifetime to be considered a significant intermediate in the reaction; and (iv) even at ice temperatures, T = 3 is immediate. The implications for hydrolysis of oxides of nitrogen on surfaces in the atmosphere are discussed.},
	issn = {0002-7863},
	doi = {10.1021/ja900350g},
	author = {Miller, Yifat and Finlayson-Pitts, Barbara J. and R Benny Gerber}
}
