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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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FORTRAN interface for code interoperability in quantum chemistry: the Q5Cost library

S Borini1, A Monari, E Rossi

  • 1Dipartimento di Chimica, Università di Ferrara, V. Borsari 46, I-44100 Ferrara, Italy.

Journal of Chemical Information and Modeling
|May 12, 2007
PubMed

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