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A quantum molecular dynamics study of aqueous solvation dynamics.

Pablo E Videla1, Peter J Rossky, D Laria

  • 1Departamento de Química Inorgánica Analítica y Química-Física e INQUIMAE, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellón II, 1428 Buenos Aires, Argentina.

The Journal of Chemical Physics
|November 5, 2013
PubMed
Summary

Nuclear quantum fluctuations significantly impact charge solvation dynamics, reducing characteristic timescales by up to 20%. Anionic solvation shows more pronounced quantum effects than cationic solvation.

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