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Hybrid QM/MM Car-Parrinello Simulations of Catalytic and En..:
Maria Carola Colombo
;
Martin Zumstein
;
Joost VandeVondele
...
https://chimia.ch/chimia/article/view/3547. , 2002
Link:
https://doi.org/10.2533/000942902777680865
RT Journal T1
Hybrid QM/MM Car-Parrinello Simulations of Catalytic and Enzymatic Reactions
UL https://suche.suub.uni-bremen.de/peid=base-ftdoajarticles:oai:doaj.org_article:5102270b984c4ae387e77a374f58c0b7&Exemplar=1&LAN=DE A1 Maria Carola Colombo A1 Martin Zumstein A1 Joost VandeVondele A1 Marialore Sulpizi A1 Katrin Spiegel A1 Ute Röhrig A1 Stefano Piana A1 Patrick Maurer A1 Alessandra Magistrato A1 Alessandro Laio A1 Leonardo Guidoni A1 Ursula Röthlisberger PB Swiss Chemical Society YR 2002 K1 Car-parrinello first-principles molecular dynamics K1 Computational chemistry K1 Enantioselective catalysis K1 Enzymatic reactions K1 Qm/mm simulations K1 Chemistry K1 QD1-999 JF https://chimia.ch/chimia/article/view/3547 LK http://dx.doi.org/https://doi.org/10.2533/000942902777680865 DO https://doi.org/10.2533/000942902777680865 SF ELIB - SuUB Bremen
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