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Inorganic Chemistry|October 30, 2001
Cis-trans isomerization in triply-bonded ditungsten complexes: a multitude of possible pathwaysJ VandeVondele, A Magistrato, U Rothlisberger
Proteins|July 2, 2003
Reaction mechanism of caspases: insights from QM/MM Car-Parrinello simulationsM Sulpizi, A Laio, J VandeVondele, et al.
Nature Materials|September 6, 2011
Large variation of vacancy formation energies in the surface of crystalline iceM Watkins, D Pan, E G Wang, et al.
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