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Density maximum and polarizable models of water.
Kiss PT, Baranyai A. Kiss PT, et al. Among authors: baranyai a. J Chem Phys. 2012 Aug 28;137(8):084506. doi: 10.1063/1.4746419. J Chem Phys. 2012. PMID: 22938249
Polarizable model of water with field-dependent polarization.
Baranyai A, Kiss PT. Baranyai A, et al. J Chem Phys. 2011 Dec 21;135(23):234110. doi: 10.1063/1.3670962. J Chem Phys. 2011. PMID: 22191867
The polarizable charge-on-spring model of water with three Gaussian charges developed by the present authors [A. Baranyai and P. T. Kiss, J. Chem. Phys. 133, 144109 (2010)] was studied. ...However, the internal energy shows a minimum at ~0.35 V/A. At t …
The polarizable charge-on-spring model of water with three Gaussian charges developed by the present authors [A. Baranyai and …
Transferable model of water with variable molecular size.
Kiss PT, Baranyai A. Kiss PT, et al. Among authors: baranyai a. J Chem Phys. 2011 Jun 7;134(21):214111. doi: 10.1063/1.3596727. J Chem Phys. 2011. PMID: 21663348
By decreasing the steepness of the repulsive wing in the intermolecular potential, one can extend the applicability of a water model to the high pressure region. Exploiting this trivial possibility, we published a polarizable model of water which provided good estim …
By decreasing the steepness of the repulsive wing in the intermolecular potential, one can extend the applicability of a water model …
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