@article { ISI:000253135200002,
	title = {Dynamics of proton recombination with NO3- anion in water clusters},
	journal = {PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
	volume = {10},
	year = {2008},
	pages = {1091-1093},
	abstract = {Recombination events of a proton with NO3- at (H2O)(8) clusters are studied by molecular dynamics, using {\textquoteleft}{\textquoteleft}on-the-fly{\textquoteright}{\textquoteright} reliable ab initio MP2 potentials. The main findings are: (1) the lifetime of the ions is less than 1.2 picoseconds; (2) the recombination step invariably involves H3O+, not H5O2+; and (3) an essentially unique transition-state structure of H3O+/NO3- for recombination is found in all cases. Proton migration involves both H3O+ and H5O2+ species: Grotthuss and other mechanisms contribute.},
	issn = {1463-9076},
	doi = {10.1039/b717338p},
	author = {Miller, Yifat and R Benny Gerber}
}
