Hydration characteristics of Ca2+and Mg2+: a density functional theory, polarized continuum model and molecular dynamics investigation
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/00268976.2012.737035
Reference44 articles.
1. I. Bertini, A. Sigel and H. Sigel (eds),Handbook on Metalloproteins(CRC Press, Boca Raton, FL, 2001)
2. Binding energies for the inner hydration shells of Ca2+: An experimental and theoretical investigation of Ca2+(H2O)x complexes (x=5–9)
3. Blackbody infrared radiative dissociation at low temperature: hydration of X2+(H2O)n, for X = Mg, Ca
4. The structure, dynamics and solvation mechanisms of ions in water from long time molecular dynamics simulations: a case study of CaCl2(aq) aqueous solutions
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