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ashaytan's ion [5 articles]

Recent papers added to ashaytan's library classified by the tag ion. You can also see everyone's ion.

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	CHEMISTRY: Ions at the Air/Water Interface Science, Vol. 303, No. 5661. (20 February 2004), pp. 1146-1147. by Bruce C. Garrett posted to adsorption ion liquid-vapor review simulations theory top water-vapor by ashaytan on 2008-01-25 14:54:15 Abstract Copy My Attachments My Copy Abstract 10.1126/science.1089801 ...
	Computation of methodology-independent ionic solvation free energies from molecular simulations. II. The hydration free energy of the sodium cation The Journal of Chemical Physics, Vol. 124, No. 22. (2006), 224501. by Mika A. Kastenholz, Philippe H. Hünenberger posted to fee hydration ion simulations water by ashaytan on 2008-01-24 11:04:07 Abstract Copy My Attachments My Copy Abstract ...
	Computation of methodology-independent ionic solvation free energies from molecular simulations. I. The electrostatic potential in molecular liquids The Journal of Chemical Physics, Vol. 124, No. 12. (2006) by M. A. Kastenholz, Philippe H. Hünenberger posted to fee hydration ion simulations solvation by ashaytan on 2008-01-24 11:01:07 Abstract Copy My Attachments My Copy Abstract ...
	The Hydrated Proton at the Water Liquid/Vapor Interface J. Phys. Chem. B, Vol. 108, No. 39. (30 September 2004), pp. 14804-14806. by M. K. Petersen, S. S. Iyengar, T. J. F. Day, G. A. Voth posted to interface ion liquid-vapor simulations vapor water by ashaytan on 2008-01-23 22:45:06 Abstract Copy My Attachments My Copy Abstract Abstract: The hydrated proton was studied at the water liquid/vapor interface using the multistate empirical valence bond (MS-EVB) methodology, which enables the migration of the excess proton to and about the interface through the fluctuating bond topology described by the Grotthuss shuttle mechanism. It was found in our model that the hydrated excess proton displays a marked preference for water liquid/vapor interfaces. The resulting stable surface structures can be explained through an examination of the bond network formed between the water/proton ...
	Solvation of the hydronium ion at the water liquid/vapor interface The Journal of Chemical Physics, Vol. 119, No. 12. (2003), pp. 6351-6353. by Liem X. Dang posted to dynamics interface ion liquid-vapor pmf simulations solvation by ashaytan on 2008-01-23 22:42:32 Abstract Copy My Attachments My Copy Abstract ...

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