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Deprotonation of solvated formic acid: Car-Parrinello and metadynamics simulations

Jung-Goo Lee1, Eliana Asciutto, Volodymyr Babin

  • 1Center for High Performance Simulations (CHiPS) and Department of Physics, North Carolina State University, Raleigh, North Carolina 27695, USA.

The Journal of Physical Chemistry. B
|February 14, 2006
PubMed

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