Theoretical Study on the Hydration Structure of Divalent Radium Ion Using Fragment Molecular Orbital–Molecular Dynamics (FMO–MD) Simulation
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,Molecular Biology,Biochemistry,Biophysics
Link
http://link.springer.com/content/pdf/10.1007/s10953-014-0235-7.pdf
Reference42 articles.
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3. Hofer, T.S., Randolf, B.R., Rode, B.M.: Structure-breaking effects of solvated Rb(I) in dilute aqueous solution: an ab initio QM/MM MD approach. J. Comput. Chem. 26, 949–956 (2005)
4. Kolaski, M., Lee, H.M., Choi, Y.C., Kim, K.S., Tarakeshwar, P., Miller, D.J., Lisy, J.M.: Structures, energetics, and spectra of aqua-cesium(I) complexes: an ab initio and experimental study. J. Chem. Phys. 126, 074302 (2007)
5. Schwenk, C.F., Hofer, T.S., Rode, B.M.: Structure breaking effect of hydrated Cs+. J. Phys. Chem. A 108, 1509–1514 (2004)
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