Hybrid QM/MM Car-Parrinello Simulations of Catalytic and Enzymatic Reactions

Author: Colombo Maria Carola   Guidoni Leonardo   Laio Alessandro   Magistrato Alessandra   Maurer Patrick   Piana Stefano   Röhrig Ute   Spiegel Katrin   Sulpizi Marialore   VandeVondele Joost   Zumstein Martin   Röthlisberger Ursula  

Publisher: Swiss Chemical Society

ISSN: 0009-4293

Source: CHIMIA International Journal for Chemistry, Vol.56, Iss.1-2, 2002-01, pp. : 13-19

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