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1 Ergebnisse
1
Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard–Jones P..:
Ougaard Dohn, Asmus
;
Selli, Daniele
;
Fazio, Gianluca
...
info:eu-repo/grantAgreement/EC/H2020/647020. , 2018
Link:
https://hdl.handle.net/20.500.11815/1395
RT Journal T1
Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard–Jones Parameters for Water and to Study Solvation of TiO2 Nanoparticles
UL https://suche.suub.uni-bremen.de/peid=base-ftopinvisindi:oai:opinvisindi.is:20.500.11815_1395&Exemplar=1&LAN=DE A1 Ougaard Dohn, Asmus A1 Selli, Daniele A1 Fazio, Gianluca A1 Ferraro, Lorenzo A1 Mortensen, Jens A1 Civalleri, Bartolomeo A1 Di Valentin, Cristiana PB MDPI AG YR 2018 K1 QM/MM K1 Multiscale K1 Nanoparticles K1 Force field parameters K1 Water K1 Titanium dioxide K1 Geometry optimization K1 Molecular dynamics K1 Nanótækni K1 Efnasambönd JF info:eu-repo/grantAgreement/EC/H2020/647020 LK http://dx.doi.org/https://hdl.handle.net/20.500.11815/1395 DO https://hdl.handle.net/20.500.11815/1395 SF ELIB - SuUB Bremen
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