Concepedia

Ab initio studies of the beryllium aquahydroxocomplexes

Dmitry A. Rozmanov, Olga V. Sizova, K. A. Burkov

Journal of Molecular Structure THEOCHEM · 2004 · 14 citations · 22 references

DOI

Concepts

References

22

General atomic and molecular electronic structure system

Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.2K citations

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Hydration of Beryllium, Magnesium, Calcium, and Zinc Ions Using Density Functional Theory

Maria Pavlov, Per E. M. Siegbahn, Magnus Sandström · The Journal of Physical Chemistry A · 1998 · 520 citations

, , +14

Bond orders and valences from ab initio wave functions

I. Mayer · International Journal of Quantum Chemistry · 1986 · 472 citations

, , +13

Ab initio molecular dynamics of ion solvation. The case of Be2+ in water

Dominik Marx, Michiel Sprik, Michele Parrinello · Chemical Physics Letters · 1997 · 163 citations

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Unimolecular Reactions of Dihydrated Alkaline Earth Metal Dications M<sup>2+</sup>(H<sub>2</sub>O)<sub>2</sub>, M = Be, Mg, Ca, Sr, and Ba:  Salt-Bridge Mechanism in the Proton-Transfer Reaction M<sup>2+</sup>(H<sub>2</sub>O)<sub>2</sub> → MOH<sup>+</sup> + H<sub>3</sub>O<sup>+</sup>

Martin K. Beyer, Evan R. Williams, V. E. Bondybey · Journal of the American Chemical Society · 1999 · 151 citations

, , +14