@article {526,
	title = {A Bond-order Analysis of the Mechanism for Hydrated Proton Mobility in Liquid Water},
	journal = {J Chem Phys},
	volume = {122},
	number = {1},
	year = {2005},
	note = {Lapid, Hadas Agmon, Noam Petersen, Matt K Voth, Gregory A United States The Journal of chemical physics J Chem Phys. 2005 Jan 1;122(1):14506.},
	pages = {14506},
	abstract = {<p>Bond-order analysis is introduced to facilitate the study of cooperative many-molecule effects on proton mobility in liquid water, as simulated using the multistate empirical valence-bond methodology. We calculate the temperature dependence for proton mobility and the total effective bond orders in the first two solvation shells surrounding the H(5)O(2) (+) proton-transferring complex. We find that proton-hopping between adjacent water molecules proceeds via this intermediate, but couples to hydrogen-bond dynamics in larger water clusters than previously anticipated. A two-color classification of these hydrogen bonds leads to an extended mechanism for proton mobility.</p>},
	doi = {10.1063/1.1814973},
	author = {Lapid, H. and Agmon, N. and Petersen, M. K. and G. A. Voth}
}
